SCHEMBL6800610

SCHEMBL6800610

Clc1ccc(Nc2nccc(-c3cc(Cl)sc3Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
CDK2 P24941 3/20 0.56
PIK3CA P42336 7/20 0.54
PIK3CB P42338 7/20 0.54
PIK3CG P48736 7/20 0.54
LMNA P02545 1/20 0.52
SCN9A Q15858 2/20 0.50
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
IKBKB O14920 1/20 0.49
SMG1 Q96Q15 1/20 0.46
AKT1 P31749 1/20 0.46
KDR P35968 1/20 0.46
PTK2 Q05397 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
EIF2AK2 P19525 1/20 0.46
JAK2 O60674 1/20 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
SCHEMBL6805736 0.86 CDK2 (0.61) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL6797526 0.84 PIK3CA (0.67) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL6797871 0.79 CDK2 (0.60) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL6797536 0.79 CCNB2 (0.56) CDK2PIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6798770 0.77 ABL1 (0.63) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL4313542 0.73 LMNA (0.63) CDK2LMNADYRK1AGAAKDM4E
SCHEMBL6800523 0.73 IKBKB (0.47) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL4732841 0.72 PLK1 (1.00) PLK1PIK3CAPIK3CBPIK3CGCLK1
SCHEMBL13924481 0.72 SYK (0.77) PLK1CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL6157084 0.72 CDK2 (1.00) PLK1CDK2

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-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US claimed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP claimed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US claimed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO claimed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 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 (2 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 PLK1 53/4885CDK2 2/4885PIK3CA 114/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 PLK1 53/4885CDK2 2/4885PIK3CA 114/4885

“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.