SCHEMBL4159787

SCHEMBL4159787

CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 1.00
ALK Q9UM73 4/20 1.00
FLT3 P36888 4/20 1.00
CDK9 P50750 15/20 0.81
CDK2 P24941 14/20 0.81
CDK4 P11802 11/20 0.81
AURKA O14965 10/20 0.81
AURKB Q96GD4 10/20 0.81
CDK7 P50613 11/20 0.81
CHEK1 O14757 3/20 0.81
DAPK3 O43293 3/20 0.81
JAK2 O60674 3/20 0.81
PRKD3 O94806 3/20 0.81
PAK4 O96013 3/20 0.81
ABL1 P00519 3/20 0.81
FYN P06241 3/20 0.81
CSF1R P07333 3/20 0.81
RET P07949 3/20 0.81
MET P08581 3/20 0.81
FGFR1 P11362 3/20 0.81

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
SCHEMBL4166357 0.90 CDK2 (0.84) WEE1ALKFLT3CDK9CDK2
SCHEMBL4158736 0.90 CDK2 (0.82) WEE1ALKFLT3CDK9CDK2
SCHEMBL2076207 0.90 CDK2 (1.00) WEE1ALKFLT3CDK9CDK2
SCHEMBL4163116 0.90 CDK2 (0.82) WEE1ALKFLT3CDK9CDK2
SCHEMBL2076213 0.89 CDK2 (1.00) WEE1ALKFLT3CDK9CDK2
SCHEMBL2074623 0.87 CDK2 (0.81) WEE1ALKFLT3CDK9CDK2
SCHEMBL4158649 0.85 CDK9 (1.00) WEE1ALKFLT3CDK9CDK2
SCHEMBL27684393 0.85 CDK9 (0.77) WEE1ALKFLT3CDK9CDK2
SCHEMBL5159297 0.85 CDK2 (0.75) WEE1ALKFLT3CDK9CDK2
SCHEMBL4167442 0.84 CDK2 (0.80) WEE1ALKFLT3CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
WO-2007132228-A1 COMBINATION OF CNDAC WITH A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO claimed
WO-2007132221-A1 COMBINED ANTICANCER PYRIMIDINE-THIAZOLE AURORA KINASE INHIBITORS CYCLACEL LIMITED (GB) 2007-11-22 WO claimed
WO-2007132220-A1 COMBINATION OF A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE WITH A CYTOTOXIC DRUG AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO claimed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP claimed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
WO-2007132228-A1 COMBINATION OF CNDAC WITH A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132228-A1 COMBINATION OF CNDAC WITH A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132221-A1 COMBINED ANTICANCER PYRIMIDINE-THIAZOLE AURORA KINASE INHIBITORS CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132221-A1 COMBINED ANTICANCER PYRIMIDINE-THIAZOLE AURORA KINASE INHIBITORS CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132220-A1 COMBINATION OF A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE WITH A CYTOTOXIC DRUG AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132220-A1 COMBINATION OF A 2-SUBSTITUTED-4-HETER0ARYL-PYRIMIDINE AMINE WITH A CYTOTOXIC DRUG AND USE THEREOF IN THE TREATMENT OF A PROLIFERATIVE DISORDER CYCLACEL LIMITED (GB) 2007-11-22 WO disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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 (1 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 WEE1 185/4885ALK 1366/4885FLT3 618/4885

“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.