SCHEMBL6033191

SCHEMBL6033191

CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(OCCn4ccnc4)cc3)ncc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.53
KDR P35968 8/20 0.53
TBXAS1 P24557 6/20 0.43
EGFR P00533 3/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
NOS1 P29475 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
SCHEMBL6033691 0.91 CDK1 (0.54) CDK1KDR
SCHEMBL6034249 0.88 KDR (0.56) CDK1KDR
SCHEMBL6033193 0.86 CDK1 (0.47) CDK1KDRTBXAS1EGFRCTSL
SCHEMBL6034281 0.85 KDR (0.70) CDK1KDRTBXAS1EGFRNOS1
SCHEMBL6034123 0.85 KDR (0.47) CDK1KDR
SCHEMBL6033857 0.81 KDR (0.53) CDK1KDR
SCHEMBL6033554 0.81 KDR (0.59) CDK1KDR
SCHEMBL6034016 0.81 KDR (0.62) CDK1KDRTBXAS1EGFRABL1
SCHEMBL6033867 0.80 KDR (0.48) CDK1KDR
SCHEMBL6033977 0.80 CDK1 (0.47) 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 3/4885TBXAS1 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.