SCHEMBL5200962

SCHEMBL5200962

Cc1c[nH]c(C)c1-c1ccnc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 6/20 0.61
CDK2 P24941 6/20 0.58
CDK4 P11802 3/20 0.58
PLK1 P53350 1/20 0.54
PIK3CA P42336 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 3/20 0.52
AKT1 P31749 1/20 0.50
KDR P35968 1/20 0.50
PTK2 Q05397 1/20 0.50
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
SCN9A Q15858 1/20 0.48
IKBKB O14920 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46

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
SCHEMBL4614605 0.87 CDK2 (0.63) EIF2AK2CDK2CDK4PIK3CAPIK3CB
SCHEMBL5201943 0.87 CDK4 (0.60) EIF2AK2CDK2CDK4PLK1KDR
SCHEMBL5206202 0.87 CDK2 (0.58) EIF2AK2CDK2CDK4PLK1CCNB2
SCHEMBL5200887 0.85 CDK2 (0.69) EIF2AK2CDK2CDK4PLK1PIK3CA
SCHEMBL5204200 0.85 CDK2 (0.59) EIF2AK2CDK2CDK4SCN9AIKBKB
SCHEMBL5201243 0.84 PIK3CG (0.63) EIF2AK2CDK2CDK4PLK1PIK3CA
SCHEMBL5204073 0.84 CDK2 (0.60) EIF2AK2CDK2CDK4SCN9AIKBKB
SCHEMBL5201023 0.84 EIF2AK2 (0.63) EIF2AK2CDK2CDK4IKBKB
SCHEMBL5206401 0.83 CDK2 (0.58) EIF2AK2CDK2CDK4PLK1PIK3CA
SCHEMBL5201197 0.81 CDK2 (0.60) EIF2AK2CDK2CDK4IKBKB

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-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US claimed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US claimed
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP claimed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US claimed
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US disclosed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US disclosed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US disclosed
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US disclosed
EP-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 EP disclosed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 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-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 EIF2AK2 831/4885CDK2 1/4885CDK4 5/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 EIF2AK2 831/4885CDK2 1/4885CDK4 5/4885

“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.