SCHEMBL6033965

SCHEMBL6033965

N#Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.68
CDK1 P06493 12/20 0.65
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ACVR1 Q04771 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
SCHEMBL4901301 0.85 KDR (0.51) KDRCDK1RAB9AADORA2A
SCHEMBL6033790 0.85 KDR (0.64) KDRCDK1
SCHEMBL6033918 0.82 KDR (1.00) KDRCDK1ALOX15ALDH1A1RAB9A
SCHEMBL6033704 0.81 KDR (0.69) KDRCDK1
SCHEMBL6034016 0.79 KDR (0.62) KDRCDK1KMT2A
SCHEMBL31061561 0.79 KDR (1.00) KDRCDK1ALOX15ALDH1A1RAB9A
SCHEMBL6033880 0.79 KDR (0.82) KDRCDK1ALOX15ALDH1A1RAB9A
SCHEMBL6034123 0.78 KDR (0.47) KDRCDK1ALDH1A1
SCHEMBL6034237 0.76 KDR (0.76) KDRCDK1ALOX15ALDH1A1RAB9A
SCHEMBL6034534 0.76 MAPK10 (0.55) KDRCDK1ADORA2AADORA2BACVR1

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 3 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

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 59/4885ALOX15 845/4885

“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.