SCHEMBL4613646

SCHEMBL4613646

Cc1[nH]c(Cl)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 1.00
CDK4 P11802 8/20 1.00
EIF2AK2 P19525 8/20 0.68
SYK P43405 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL5203801 0.85 CDK2 (0.74) CDK2CDK4EIF2AK2SYKMEN1
SCHEMBL4615060 0.85 CDK2 (1.00) CDK2CDK4EIF2AK2SYKMEN1
SCHEMBL4613384 0.82 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL27584438 0.81 CDK2 (0.67) CDK2CDK4EIF2AK2SYK
SCHEMBL4615505 0.81 CDK2 (0.67) CDK2CDK4EIF2AK2SYKMEN1
SCHEMBL4614634 0.81 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL4616002 0.81 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL5204445 0.79 CDK2 (0.65) CDK2CDK4EIF2AK2SYK
SCHEMBL5274096 0.78 CDK2 (0.73) CDK2CDK4EIF2AK2SYK
SCHEMBL4614605 0.78 CDK2 (0.63) CDK2CDK4EIF2AK2SYKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP claimed
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-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US claimed
EP-1572211-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES Cyclacel Limited (GB) 2005-09-14 EP claimed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US claimed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO claimed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP disclosed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP disclosed
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-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US disclosed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 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 (3 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-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines HRH2, HRH3, CYTH3 CDK2 810/4885CDK4 1254/4885EIF2AK2 629/4885
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885EIF2AK2 831/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885EIF2AK2 831/4885

“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.