SCHEMBL6034124

SCHEMBL6034124

COc1cc(Nc2ncc(C#N)c(-c3ccccc3)n2)cc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.62
CDK1 P06493 10/20 0.62
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTK2 Q05397 1/20 0.44
ADORA2B P29275 1/20 0.43
IMPDH2 P12268 1/20 0.42
MAP2K1 Q02750 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
SCHEMBL6034114 0.85 KDR (0.70) KDRCDK1ADORA2AADORA1PTK2
SCHEMBL6034261 0.83 KDR (0.73) KDRCDK1ADORA2AADORA1IMPDH2
SCHEMBL6034018 0.81 KDR (0.83) KDRCDK1ADORA2AADORA1ALDH1A1
SCHEMBL6033152 0.80 KDR (0.78) KDRCDK1ADORA2AADORA1ALDH1A1
SCHEMBL6033918 0.76 KDR (1.00) KDRCDK1ADORA2AADORA1ALDH1A1
SCHEMBL31061561 0.73 KDR (1.00) KDRCDK1ADORA2AADORA1ALDH1A1
SCHEMBL6033283 0.73 KDR (0.62) KDRCDK1ADORA2AADORA1PTK2
SCHEMBL6033986 0.72 PTK2 (0.56) KDRCDK1PTK2
SCHEMBL6033911 0.72 PTK2 (0.56) KDRCDK1ADORA2AADORA1PTK2
SCHEMBL6033266 0.72 KDR (0.61) KDRCDK1ADORA2AADORA1PTK2

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 5 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-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 (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-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885ADORA2A 448/4885

“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.