SCHEMBL6034281

SCHEMBL6034281

CC(C)(N)c1ccc(-c2nc(Nc3ccc(OCCn4ccnc4)cc3)ncc2C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.70
CDK1 P06493 15/20 0.70
TBXAS1 P24557 1/20 0.48
NOS1 P29475 1/20 0.47
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL6033239 0.88 CDK1 (0.72) KDRCDK1
SCHEMBL6034016 0.87 KDR (0.62) KDRCDK1TBXAS1KMT2AEGFR
SCHEMBL6033191 0.85 CDK1 (0.53) KDRCDK1TBXAS1NOS1EGFR
SCHEMBL6033825 0.82 SYK (0.55) KDRCDK1TBXAS1EGFR
SCHEMBL6033790 0.82 KDR (0.64) KDRCDK1
SCHEMBL6034280 0.80 CDK1 (0.58) KDRCDK1TBXAS1NOS1MEN1
SCHEMBL6033193 0.80 CDK1 (0.47) KDRCDK1TBXAS1EGFR
SCHEMBL6034045 0.77 KDR (0.73) KDRCDK1
SCHEMBL6033695 0.77 KDR (0.73) KDRCDK1
SCHEMBL6033778 0.76 JAK3 (0.59) KDRCDK1TBXAS1EGFR

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 58/4885TBXAS1 296/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885TBXAS1 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.