SCHEMBL3126763

SCHEMBL3126763

Cc1coc2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
EGFR P00533 9/20 0.49
PDGFRB P09619 9/20 0.49
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
UBE2N P61088 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LIMK1 P53667 4/20 0.45
PLK4 O00444 3/20 0.45
ROCK2 O75116 3/20 0.45
MAP4K4 O95819 3/20 0.45
LCK P06239 3/20 0.45
LYN P07948 3/20 0.45
RET P07949 3/20 0.45

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
SCHEMBL22407290 0.76 KDR (0.53) KDREGFRPDGFRBMEN1ALDH1A1
SCHEMBL22659243 0.76 KDR (0.46) KDRKDM4EMEN1ALDH1A1HPGD
SCHEMBL6928152 0.76 KDR (0.47) KDREGFRKDM4EMEN1ALDH1A1
SCHEMBL22432453 0.73 KDR (0.56) KDREGFRPDGFRBTSHRLIMK1
SCHEMBL3120400 0.69 KDR (0.71) KDREGFRPDGFRBKDM4EMEN1
SCHEMBL2976034 0.69 KDR (0.67) KDREGFRPDGFRBKDM4EALDH1A1
SCHEMBL2610983 0.68 LIMK1 (0.40) KDRKDM4EALDH1A1HPGDHSD17B10
Gw642125X SCHEMBL14013971 0.68 KDR (1.00) KDREGFRKDM4EALDH1A1HPGD
SCHEMBL14013981 0.67 KDR (0.68) KDREGFRPDGFRBLIMK1PLK4
SCHEMBL14013994 0.67 KDR (0.68) KDRPDGFRBKDM4EALDH1A1HPGD

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 39 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-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-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-09-17 US disclosed
US-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-03-03 US disclosed
US-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-03-03 US disclosed
US-8946239-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-02-03 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
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US 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 (9 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-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCG2, ABCB1, ABCC1 KDR 3904/4885EGFR 2480/4885PDGFRB 2290/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885EGFR 49/4885PDGFRB 1992/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885EGFR 49/4885PDGFRB 1992/4885
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCC1, ABCB1, ABCG2 KDR 4053/4885EGFR 3337/4885PDGFRB 4490/4885
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCG2 KDR 3949/4885EGFR 2735/4885PDGFRB 3127/4885
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCB11 KDR 4008/4885EGFR 2852/4885PDGFRB 3052/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT KDR 1248/4885EGFR 1574/4885PDGFRB 944/4885
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCB1, ABCC1, ABCG2 KDR 3949/4885EGFR 2735/4885PDGFRB 3127/4885
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof ABCC1, ABCG2, ABCB1 KDR 4359/4885EGFR 2592/4885PDGFRB 2030/4885

“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.