SCHEMBL6033889

SCHEMBL6033889

CC(=O)c1cccc(Nc2ncc(C#N)c(-c3ccccc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.68
CDK1 P06493 12/20 0.67
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CCNT1 O60563 3/20 0.51
CCNB1 P14635 3/20 0.51
CDK7 P50613 3/20 0.51
CDK9 P50750 3/20 0.51
CCNH P51946 3/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCNA1 P78396 2/20 0.49

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
SCHEMBL6033968 0.91 KDR (0.71) KDRCDK1ALDH1A1RAB9ANPC1
SCHEMBL6033918 0.82 KDR (1.00) KDRCDK1ALDH1A1RAB9AALOX15
SCHEMBL6034601 0.80 KDR (0.68) KDRCDK1CCNA2CDK2CCNT1
SCHEMBL6033235 0.79 KDR (0.72) KDRCDK1ALDH1A1RAB9AALOX15
SCHEMBL31061561 0.77 KDR (1.00) KDRCDK1ALDH1A1RAB9AALOX15
SCHEMBL6033880 0.77 KDR (0.82) KDRCDK1CCNA2CDK2CCNT1
SCHEMBL6034261 0.76 KDR (0.73) KDRCDK1EGFRERBB2PLK1
SCHEMBL6033924 0.76 KDR (0.71) KDRCDK1EGFRERBB2ALDH1A1
SCHEMBL6034268 0.76 KDR (0.74) KDRCDK1ALDH1A1RAB9AALOX15
SCHEMBL6034726 0.75 KDR (0.67) KDRCDK1ALDH1A1RAB9AALOX15

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-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
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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 58/4885CCNA2 767/4885

“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.