SCHEMBL4066529

SCHEMBL4066529

CC[C@H](CO)Nc1nc(Nc2cccc(S(=O)(=O)NCc3cccnc3)c2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.45
▸ CDK1 P06493 4/20 0.45
▸ KDR P35968 4/20 0.45
▸ CDK4 P11802 3/20 0.45
▸ CDK7 P50613 3/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCNH P51946 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNB1 P14635 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 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
SCHEMBL4060679 0.93 CDK1 (0.45) CDK2CDK1KDRCDK4CDK7
SCHEMBL4063398 0.91 CDK1 (0.53) CDK2CDK1KDRCDK4CDK7
SCHEMBL4062516 0.90 KDR (0.57) CDK2CDK1KDRCDK4CDK7
SCHEMBL4068264 0.90 NTRK1 (0.52) CDK2CDK1KDRCDK4CDK7
SCHEMBL4061041 0.89 CDK1 (0.45) CDK2CDK1KDRCDK4CDK7
SCHEMBL4060305 0.89 CDK1 (0.45) CDK2CDK1KDRCDK4CDK7
SCHEMBL4069893 0.88 TRPV1 (0.43) CDK2CDK1KDRCDK4CDK7
SCHEMBL4062845 0.87 TSHR (0.50) CDK2CDK1KDRCDK4CDK7
SCHEMBL4059539 0.87 TBK1 (0.43) CDK2CDK1KDRCDK4CDK7
SCHEMBL4059397 0.86 CDK1 (0.45) CDK2CDK1KDRCDK4CDK7

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 CDK2 1/4885CDK1 2/4885KDR 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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