SCHEMBL6033922

SCHEMBL6033922

N#Cc1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.65
CDK1 P06493 11/20 0.60
GSK3B P49841 2/20 0.51
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
DHODH Q02127 1/20 0.44
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL6033924 0.81 KDR (0.71) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6033918 0.79 KDR (1.00) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL31061561 0.76 KDR (1.00) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6033880 0.76 KDR (0.82) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6033152 0.76 KDR (0.78) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6034261 0.75 KDR (0.73) KDRCDK1
SCHEMBL6033902 0.73 KDR (0.62) KDRCDK1CDK2
SCHEMBL6034237 0.73 KDR (0.76) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6033968 0.73 KDR (0.71) KDRCDK1ALDH1A1ALOX15RAB9A
SCHEMBL6034034 0.72 KDR (0.64) KDRCDK1

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 6 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
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 (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 58/4885GSK3B 348/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885GSK3B 426/4885

“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.