SCHEMBL6033719

SCHEMBL6033719

N#Cc1cnc(Nc2ccc(OCCn3cncn3)cc2)nc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.52
CDK1 P06493 9/20 0.52
EGFR P00533 2/20 0.46
ACVR1 Q04771 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41

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
SCHEMBL6033887 0.93 KDR (0.61) KDRCDK1EGFRMAPTSMN1; SMN2
SCHEMBL6034651 0.86 KDR (0.52) KDRCDK1EGFRACVR1ADORA2A
SCHEMBL6033744 0.85 SYK (0.47) KDRCDK1EGFRMAPTSMN1; SMN2
SCHEMBL6034172 0.84 KDR (0.57) KDRCDK1EGFRMAPTSMN1; SMN2
SCHEMBL6033927 0.84 KDR (0.61) KDRCDK1ADORA2AADORA2B
SCHEMBL6033750 0.80 KDR (0.70) KDRCDK1ALDH1A1RAB9AADORA2A
SCHEMBL6034534 0.80 MAPK10 (0.55) KDRCDK1ACVR1ADORA2AADORA2B
SCHEMBL6034016 0.79 KDR (0.62) KDRCDK1EGFRKMT2AABL1
SCHEMBL6033273 0.78 KDR (0.61) KDRCDK1ALDH1A1RAB9A
SCHEMBL6723418 0.77 EGFR (0.49) EGFRACVR1MAPTSMN1; SMN2ALDH1A1

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 58/4885EGFR 29/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885EGFR 38/4885

“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.