SCHEMBL1202863

SCHEMBL1202863

COc1ccc(C(=O)NCCCN(C)C)cc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.67
RAD52 P43351 1/20 0.66
BRD4 O60885 5/20 0.61
BRDT Q58F21 5/20 0.61
TTK P33981 4/20 0.58
PLK3 Q9H4B4 2/20 0.54
PLK2 Q9NYY3 1/20 0.54
MAPK7 Q13164 1/20 0.53
PLK4 O00444 1/20 0.53
GAK O14976 1/20 0.53
STK33 Q9BYT3 1/20 0.53
ALK Q9UM73 1/20 0.53

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
SCHEMBL1203621 0.95 PLK1 (0.74) PLK1RAD52BRD4BRDTTTK
SCHEMBL3547133 0.94 RAD52 (0.74) PLK1RAD52BRD4BRDTTTK
SCHEMBL1203349 0.94 PLK1 (0.69) PLK1RAD52BRD4BRDTTTK
SCHEMBL1204132 0.93 PLK1 (0.68) PLK1RAD52BRD4BRDTTTK
SCHEMBL1203986 0.92 PLK1 (0.71) PLK1RAD52BRD4BRDTTTK
SCHEMBL1203461 0.91 PLK1 (0.71) PLK1RAD52BRD4BRDTTTK
SCHEMBL1203641 0.90 PLK1 (0.67) PLK1RAD52BRD4BRDTTTK
SCHEMBL3549824 0.90 RAD52 (0.76) PLK1RAD52BRD4BRDTTTK
SCHEMBL1203263 0.89 PLK1 (0.67) PLK1RAD52BRD4BRDTTTK
SCHEMBL3542341 0.89 PLK1 (0.60) PLK1RAD52BRD4BRDTTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US claimed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP claimed
US-11001594-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-11 US disclosed
US-20190270753-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE UNIV TEXAS (US) 2019-09-05 US disclosed
US-10208059-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-19 US disclosed
EP-2888255-B1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE UNIV TEXAS (US) 2018-07-18 EP disclosed
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2017-05-04 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9481692-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-11-01 US disclosed
US-20140066424-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-06 US disclosed
EP-2205603-B1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2014-01-15 EP disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 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 (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-20190270753-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 PLK1 3752/4885RAD52 2307/4885BRD4 865/4885
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PLK1 355/4885RAD52 2823/4885BRD4 589/4885
US-20140066424-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 PLK1 3752/4885RAD52 2307/4885BRD4 865/4885
US-10208059-B2 Heterocyclic modulators of HIF activity for treatment of disease HIF1AN, HIF1A, EGLN3 PLK1 3752/4885RAD52 2307/4885BRD4 865/4885
US-11001594-B2 Heterocyclic modulators of HIF activity for treatment of disease HIF1AN, HIF1A, EGLN3 PLK1 3752/4885RAD52 2307/4885BRD4 865/4885
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 PLK1 3752/4885RAD52 2307/4885BRD4 865/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PLK1 23/4885RAD52 1278/4885BRD4 1149/4885

“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.