SCHEMBL4061041

SCHEMBL4061041

CC[C@H](CO)Nc1nc(Nc2cccc(S(=O)(=O)NCc3ccc(C)cc3)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.45
▸ CDK2 P24941 11/20 0.45
▸ KDR P35968 9/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ PTK2 Q05397 2/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ NTRK1 P04629 3/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ NUAK1 O60285 2/20 0.42
▸ STK16 O75716 2/20 0.42
▸ CSNK2A2 P19784 2/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42

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
SCHEMBL4060305 0.93 CDK1 (0.45) CDK1CDK2KDRCA2CDK4
SCHEMBL4060679 0.92 CDK1 (0.45) CDK1CDK2KDRCA2CDK4
SCHEMBL4059539 0.91 TBK1 (0.43) CDK1CDK2KDRCA2CDK4
SCHEMBL4058963 0.90 CDK1 (0.58) CDK1CDK2KDRCA2CDK4
SCHEMBL4061200 0.90 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL4066529 0.89 CDK2 (0.45) CDK1CDK2KDRCA2CDK4
SCHEMBL4068264 0.89 NTRK1 (0.52) CDK1CDK2KDRCA2CDK4
SCHEMBL4061802 0.87 CDK1 (0.46) CDK1CDK2KDRCA2CDK4
SCHEMBL4069893 0.87 TRPV1 (0.43) CDK1CDK2KDRCA2CDK4
SCHEMBL4063707 0.86 CDK1 (0.43) CDK1CDK2KDRCA2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US 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 (1 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 CDK1 2/4885CDK2 1/4885KDR 1504/4885

“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.

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