SCHEMBL6033306

SCHEMBL6033306

CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCCCC4)cc3)ncc2C#N)cc1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 19/20 0.87
KDR P35968 19/20 0.87
AXL P30530 1/20 0.51

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
SCHEMBL490791 0.91 CDK1 (1.00) CDK1KDRAXL
SCHEMBL6509488 0.87 CDK1 (0.98) CDK1KDRAXL
SCHEMBL6514284 0.86 CDK1 (1.00) CDK1KDRAXL
SCHEMBL6033958 0.86 KDR (0.98) CDK1KDR
SCHEMBL6033174 0.84 CDK1 (0.63) CDK1KDRAXL
SCHEMBL6033239 0.83 CDK1 (0.72) CDK1KDR
SCHEMBL6033288 0.82 CDK1 (1.00) CDK1KDR
SCHEMBL6033774 0.81 CDK1 (1.00) CDK1KDR
SCHEMBL6511860 0.80 CDK1 (1.00) CDK1KDRAXL
SCHEMBL6509985 0.79 CDK1 (0.86) CDK1KDRAXL

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 13 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 claimed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US claimed
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 claimed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US claimed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP claimed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO claimed
US-20070083333-A1 Modeling of systemic inflammatory response to infection JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 US disclosed
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 3/4885AXL 17/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885KDR 3/4885AXL 18/4885

“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.