SCHEMBL6033832

SCHEMBL6033832

CC(CNC(=O)OC(C)(C)C)c1ccc(-c2nc(Nc3cccc(CCN4CCOCC4)c3)ncc2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.67
KDR P35968 11/20 0.67
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
CCNT1 O60563 5/20 0.44
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CDK9 P50750 5/20 0.44
CCNB1 P14635 3/20 0.44
CDK7 P50613 3/20 0.44
CCNH P51946 3/20 0.44
CCNA1 P78396 3/20 0.44
TBK1 Q9UHD2 1/20 0.40
SRC P12931 1/20 0.39

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
SCHEMBL6034007 0.92 CDK1 (0.65) CDK1KDR
SCHEMBL6034221 0.88 KDR (0.51) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6033826 0.87 CDK1 (0.74) CDK1KDRABL1BCRCCNT1
SCHEMBL6033182 0.85 CDK1 (0.60) CDK1KDR
SCHEMBL6034477 0.83 CDK1 (0.46) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6033556 0.82 KDR (0.54) CDK1KDR
SCHEMBL6034733 0.82 CDK1 (0.43) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6033288 0.80 CDK1 (1.00) CDK1KDRABL1BCRSRC
SCHEMBL6034496 0.79 KDR (0.62) CDK1KDR
SCHEMBL6033870 0.79 KDR (0.44) CDK1KDR

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 CDK1 58/4885KDR 3/4885ABL1 133/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885KDR 3/4885ABL1 182/4885

“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.