SCHEMBL4067178

SCHEMBL4067178

CC[C@H](CO)Nc1nc(Nc2ccc(C)c(S(=O)(=O)NCCN3CCOCC3)c2)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BRD4 O60885 4/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CDK1 P06493 6/20 0.42
▸ KDR P35968 6/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ CCNB1 P14635 1/20 0.41

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
SCHEMBL4064797 0.93 BRD4 (0.44) BRD4PDGFRBPDGFRACDK1KDR
SCHEMBL4066724 0.93 BRD4 (0.44) BRD4PDGFRBPDGFRACDK1KDR
SCHEMBL4062724 0.91 KDR (0.52) ALDH1A1TSHRL3MBTL1BRD4PDGFRB
SCHEMBL4059088 0.89 CDK1 (0.50) BRD4CDK1KDRCDK2CA2
SCHEMBL4061800 0.87 BRD4 (0.54) ALDH1A1BRD4CDK1KDRCDK2
SCHEMBL4060182 0.84 CDK1 (0.46) CDK1KDRCDK2CA2CDK4
SCHEMBL4063628 0.84 CDK1 (0.49) CDK1KDRCDK2CA2CDK4
SCHEMBL4245879 0.84 KDR (0.54) BRD4PDGFRBPDGFRACDK1KDR
SCHEMBL4065978 0.84 KDR (0.54) BRD4PDGFRBPDGFRACDK1KDR
SCHEMBL4059503 0.84 CDK1 (0.46) CDK1KDRCDK2CA2CDK4

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 ALDH1A1 2190/4885TSHR 2795/4885L3MBTL1 3050/4885

“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.

Send feedback