SCHEMBL6033902

SCHEMBL6033902

CC(C)(N)c1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)ncc2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.62
CDK1 P06493 12/20 0.62
CTSC P53634 1/20 0.48
AURKA O14965 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
PLK1 P53350 1/20 0.47
CCNA1 P78396 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
IDH2 P48735 1/20 0.46

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
SCHEMBL6033274 0.90 KDR (0.62) KDRCDK1CCNA2CDK2CCNA1
SCHEMBL6033695 0.87 KDR (0.73) KDRCDK1
SCHEMBL6033786 0.84 KDR (0.66) KDRCDK1
SCHEMBL6033892 0.84 KDR (0.66) KDRCDK1
SCHEMBL6033803 0.83 KDR (0.64) KDRCDK1
SCHEMBL6034045 0.83 KDR (0.73) KDRCDK1
SCHEMBL6033884 0.83 KDR (0.64) KDRCDK1
SCHEMBL6034034 0.83 KDR (0.64) KDRCDK1EGFR
SCHEMBL6033292 0.79 KDR (0.62) KDRCDK1AURKAPLK1
SCHEMBL6033266 0.79 KDR (0.61) KDRCDK1PLK1

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 4 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

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 58/4885CTSC 3131/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885CTSC 3171/4885

“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.