SCHEMBL6797536

SCHEMBL6797536

Clc1cc(-c2ccnc(Nc3ccccc3Cl)n2)c(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
PIK3CG P48736 6/20 0.52
PIK3CA P42336 5/20 0.52
PIK3CB P42338 5/20 0.52
LMNA P02545 1/20 0.50
EIF2AK2 P19525 1/20 0.49
CDK2 P24941 2/20 0.48
RET P07949 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
IGF1R P08069 2/20 0.42
CDK4 P11802 1/20 0.41
AURKA O14965 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6800523 0.83 IKBKB (0.47) CCNB2CDK1CCNB1CCNB3PIK3CG
SCHEMBL6795561 0.80 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3PIK3CG
SCHEMBL6800610 0.79 PLK1 (0.56) PIK3CGPIK3CAPIK3CBLMNAEIF2AK2
SCHEMBL6805736 0.79 CDK2 (0.61) CDK1CCNB1PIK3CGPIK3CAPIK3CB
SCHEMBL6158104 0.73 CDK2 (0.74) CDK1EIF2AK2CDK2CDK4AURKA
SCHEMBL6797232 0.72 LMNA (0.57) LMNAGAAKDM4EAURKANPC1
SCHEMBL6797526 0.72 PIK3CA (0.67) CCNB2CDK1CCNB1CCNB3PIK3CG
SCHEMBL6798770 0.72 ABL1 (0.63) CCNB2CDK1CCNB1CCNB3PIK3CG
SCHEMBL3779637 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL4313542 0.71 LMNA (0.63) CCNB2CDK1CCNB1CCNB3LMNA

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 CCNB2 44/4885CDK1 12/4885CCNB1 34/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CCNB2 44/4885CDK1 12/4885CCNB1 34/4885

“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.