SCHEMBL6797526

SCHEMBL6797526

O=[N+]([O-])c1ccc(Nc2nccc(-c3cc(Cl)sc3Cl)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.67
PIK3CB P42338 5/20 0.67
PIK3CG P48736 5/20 0.67
PLK1 P53350 1/20 0.58
CDK2 P24941 5/20 0.58
CDK4 P11802 3/20 0.54
GSK3B P49841 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
IKBKB O14920 2/20 0.47
ABL1 P00519 4/20 0.47
BCR P11274 3/20 0.47
PRKCA P17252 3/20 0.47
POLB P06746 1/20 0.46
CHUK O15111 1/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AURKA O14965 1/20 0.45
CCNT1 O60563 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
SCHEMBL6798770 0.88 ABL1 (0.63) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL6800610 0.84 PLK1 (0.56) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL6800523 0.80 IKBKB (0.47) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL6805736 0.76 CDK2 (0.61) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL4735604 0.74 PLK1 (1.00) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL6159757 0.74 CDK2 (1.00) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL14378914 0.74 CDK2 (0.65) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL3864320 0.72 ABL1 (0.76) PIK3CAPIK3CBPIK3CGPLK1CDK2
SCHEMBL6797536 0.72 CCNB2 (0.56) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL4613774 0.72 CDK2 (0.80) PIK3CAPIK3CBPIK3CGPLK1CDK2

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 PIK3CA 114/4885PIK3CB 161/4885PIK3CG 237/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 PIK3CA 114/4885PIK3CB 161/4885PIK3CG 237/4885

“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.