SCHEMBL3117263

SCHEMBL3117263

Cc1nc2oc(C)cc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.50
ALDH1A1 P00352 6/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22862556 0.82 CYP1A2 (0.49) PARP1ALDH1A1PKMKDM4ESMN1; SMN2
SCHEMBL5044365 0.72 ALDH1A1 (0.37) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL12426318 0.71 TNKS (0.48) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL31470978 0.70 PARP1 (0.46) PARP1ALDH1A1PKMSMN1; SMN2TNKS2
SCHEMBL3866809 0.70 PARP1 (0.44) PARP1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL23412658 0.70 PARP1 (0.46) PARP1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL19242503 0.68 ALDH1A1 (0.61) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL9514561 0.67 PARP1 (1.00) PARP1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL19555004 0.65 ALDH1A1 (0.58) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL8529995 0.65 KDM4E (0.66) PARP1ALDH1A1KDM4ESMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 US disclosed
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 US disclosed
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 US disclosed
US-11618758-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-04-04 US disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 EP disclosed
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-05-27 US disclosed
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-05-27 US disclosed
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-03-16 US disclosed
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-03-16 US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 US disclosed
EP-2670244-A2 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT Duquesne University of The Holy Spirit (US) 2013-12-11 EP disclosed
US-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2012-10-18 US disclosed
WO-2012106522-A2 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-08-09 WO disclosed
WO-2010006025-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2010-01-14 WO disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 US disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 US disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11618758-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK PARP1 1699/4885ALDH1A1 3329/4885PKM 3036/4885
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCC1, ABCB1, ABCG2 PARP1 391/4885ALDH1A1 1985/4885PKM 989/4885
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCG2 PARP1 271/4885ALDH1A1 1241/4885PKM 714/4885
US-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK PARP1 1699/4885ALDH1A1 3329/4885PKM 3036/4885
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCB11 PARP1 242/4885ALDH1A1 1251/4885PKM 653/4885
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 PARP1 415/4885ALDH1A1 4296/4885PKM 2765/4885
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCB1, ABCC1, ABCG2 PARP1 271/4885ALDH1A1 1241/4885PKM 714/4885
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof ABCC1, ABCG2, ABCB1 PARP1 760/4885ALDH1A1 2125/4885PKM 1253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.