SCHEMBL6034035

SCHEMBL6034035

CC(CNC(=O)OC(C)(C)C)c1ccc(-c2nc(Nc3ccc(F)cc3F)ncc2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.38
CDK1 P06493 5/20 0.38
LRRK2 Q5S007 2/20 0.38
EGFR P00533 1/20 0.36
MKNK2 Q9HBH9 4/20 0.36
AAK1 Q2M2I8 2/20 0.36
MAPK8 P45983 1/20 0.36
PIK3CG P48736 1/20 0.36
GSK3B P49841 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
TRPA1 O75762 1/20 0.35
CNR2 P34972 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL6033860 0.89 KDR (0.47) KDRCDK1
SCHEMBL6034234 0.88 KDR (0.43) KDRCDK1AAK1
SCHEMBL6034477 0.88 CDK1 (0.46) KDRCDK1EGFR
SCHEMBL6033262 0.87 KDR (0.42) KDRCDK1TRPA1
SCHEMBL6033870 0.87 KDR (0.44) KDRCDK1EGFR
SCHEMBL6033885 0.86 KDR (0.43) KDRCDK1EGFR
SCHEMBL6034175 0.85 KDR (0.43) KDRCDK1EGFR
SCHEMBL6033947 0.84 KDR (0.41) KDRCDK1EGFRAAK1
SCHEMBL6033556 0.84 KDR (0.54) KDRCDK1
SCHEMBL6034030 0.83 KDR (0.42) KDRCDK1LRRK2AAK1MAPK8

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 KDR 3/4885CDK1 58/4885LRRK2 1513/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885LRRK2 1728/4885

“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.