SCHEMBL6034261

SCHEMBL6034261

COc1ccc(Nc2ncc(C#N)c(-c3ccccc3)n2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.73
CDK1 P06493 10/20 0.73
CSNK2A1 P68400 1/20 0.54
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
SRC P12931 1/20 0.53
PLK1 P53350 1/20 0.53
IMPDH2 P12268 1/20 0.52
MAP2K1 Q02750 1/20 0.52
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL6034114 0.89 KDR (0.70) KDRCDK1PLK1ADORA2AADORA1
SCHEMBL6034018 0.84 KDR (0.83) KDRCDK1PLK1ADORA2AADORA1
SCHEMBL6034124 0.83 KDR (0.62) KDRCDK1IMPDH2MAP2K1ADORA2A
SCHEMBL6033988 0.81 SRC (0.50) KDRCDK1CSNK2A1EGFRERBB2
SCHEMBL6033918 0.81 KDR (1.00) KDRCDK1ADORA2AADORA1
SCHEMBL31061561 0.81 KDR (1.00) KDRCDK1ADORA2AADORA1
SCHEMBL6033924 0.80 KDR (0.71) KDRCDK1EGFRERBB2ADORA2A
Benzene SCHEMBL3451408 0.79 KDR (0.54) KDRCDK1PLK1ADORA2AADORA1
SCHEMBL6033235 0.79 KDR (0.72) KDRCDK1
SCHEMBL12274826 0.78 FLT3 (0.52) KDRCDK1PLK1ADORA1

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 58/4885CSNK2A1 563/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885CSNK2A1 585/4885

“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.