SCHEMBL6033867

SCHEMBL6033867

Cc1ccc(S(=O)(=O)OCCOc2ccc(Nc3ncc(C#N)c(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.48
CDK1 P06493 14/20 0.48
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
JAK2 O60674 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6034239 0.92 CDK1 (0.52) KDRCDK1CCNT1CCNA2CDK2
SCHEMBL6034249 0.86 KDR (0.56) KDRCDK1JAK2HDAC1HDAC6
SCHEMBL6034729 0.86 CDK1 (0.48) KDRCDK1CCNT1CCNA2CDK2
SCHEMBL6033236 0.83 KDR (0.67) KDRCDK1CCNT1CCNA2CDK2
SCHEMBL6034767 0.81 KDR (0.51) KDRCDK1
SCHEMBL6033857 0.80 KDR (0.53) KDRCDK1
SCHEMBL6033191 0.80 CDK1 (0.53) KDRCDK1
SCHEMBL6033554 0.80 KDR (0.59) KDRCDK1
SCHEMBL6033883 0.78 KDR (0.47) KDRCDK1
SCHEMBL7514872 0.78 CDK1 (0.49) KDRCDK1CCNT1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 58/4885CCNT1 215/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885CCNT1 221/4885

“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.