SCHEMBL6034280

SCHEMBL6034280

N#Cc1cnc(Nc2ccc(OCCn3ccnc3)cc2)nc1-c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.58
KDR P35968 3/20 0.58
TBXAS1 P24557 5/20 0.50
EGFR P00533 3/20 0.46
SYK P43405 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CACNA1B Q00975 1/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
NOS1 P29475 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
SCHEMBL6034025 0.90 KDR (0.60) CDK1KDRSYKMEN1USP2
SCHEMBL6033825 0.88 SYK (0.55) CDK1KDRTBXAS1EGFRSYK
SCHEMBL6034016 0.85 KDR (0.62) CDK1KDRTBXAS1EGFRABL1
SCHEMBL6034172 0.85 KDR (0.57) CDK1KDREGFRMEN1USP2
SCHEMBL6034004 0.83 KDR (0.74) CDK1KDRMEN1KMT2AKDM4E
SCHEMBL6034062 0.83 KDR (0.54) CDK1KDRSYKMEN1USP2
SCHEMBL6034281 0.80 KDR (0.70) CDK1KDRTBXAS1EGFRMEN1
SCHEMBL6033778 0.80 JAK3 (0.59) CDK1KDRTBXAS1EGFRABL1
SCHEMBL7520533 0.79 KDR (0.62) CDK1KDRMEN1USP2CYP1A2
SCHEMBL6033950 0.78 KDR (0.57) CDK1KDRMEN1USP2CYP1A2

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 CDK1 58/4885KDR 3/4885TBXAS1 296/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885KDR 3/4885TBXAS1 282/4885

“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.