SCHEMBL6826337

SCHEMBL6826337

Cc1nc(Cl)c2[nH]c3ccccc3c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
PTGES O14684 1/20 0.44
KIF11 P52732 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44

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
SCHEMBL19537784 0.84 PTGES (0.46) KDM4EPTGESKIF11MAPTALDH1A1
SCHEMBL31682831 0.81 KDM4E (0.49) KDM4EPTGESMAPTALDH1A1GABRP
SCHEMBL9132751 0.79 MEN1 (0.46) KDM4EPTGESALDH1A1MEN1KMT2A
SCHEMBL31219145 0.76 KDM4E (0.39) KDM4EPTGESMAPTALDH1A1MEN1
SCHEMBL6827135 0.74 METAP1 (0.55) KDM4EPTGESMAPTALDH1A1GABRP
SCHEMBL9135483 0.74 BCHE (0.47) KDM4EPTGESMAPTALDH1A1GABRA1
SCHEMBL6254106 0.74 LIMK1 (0.65) KDM4EMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7221411 0.72 LIMK1 (0.63) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8479917 0.72 NPC1 (0.54) KDM4EPTGESALDH1A1GABRPGABRD
SCHEMBL6826399 0.71 KDM4E (0.56) KDM4EPTGESALDH1A1GABRPGABRD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210032266-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating A Patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-02-04 US disclosed
US-10844075-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-11-24 US disclosed
US-10385064-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-08-20 US disclosed
US-20180105536-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-04-19 US disclosed
EP-2670244-B1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT UNIV HOLY GHOST DUQUESNE (US) 2018-04-11 EP disclosed
US-9732090-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-08-15 US disclosed
US-20160009731-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating a Patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-01-14 US disclosed
US-9139590-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-09-22 US 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-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 WO 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 (7 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-20210032266-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating A Patient TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-11618758-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-20180105536-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-10385064-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-10844075-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885
US-20160009731-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating a Patient TK1, UACA, DSTYK KDM4E 4436/4885PTGES 2121/4885KIF11 3404/4885

“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.