SCHEMBL6033934

SCHEMBL6033934

COc1cc(Nc2ncc(C#N)c(-c3ccccc3Cn3ccnc3)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.52
KDR P35968 5/20 0.51
CDK1 P06493 3/20 0.51
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 2/20 0.46
CYP19A1 P11511 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL6033931 0.85 CDK1 (0.52) PTK2KDRCDK1FNTAFNTB
Diethylamine SCHEMBL7264463 0.76 PTK2 (0.53) PTK2KDRCDK1JAK2
SCHEMBL6034114 0.76 KDR (0.70) PTK2KDRCDK1JAK2
SCHEMBL6033848 0.74 CDK1 (0.56) PTK2KDRCDK1JAK2
SCHEMBL6033986 0.72 PTK2 (0.56) PTK2KDRCDK1
SCHEMBL6033283 0.70 KDR (0.62) PTK2KDRCDK1
SCHEMBL6033257 0.69 KDR (0.53) PTK2KDRCDK1
SCHEMBL12529105 0.69 PTK2 (1.00) PTK2KDRJAK2
SCHEMBL23754818 0.68 PTK2 (0.55) PTK2KDRJAK2
SCHEMBL6034261 0.68 KDR (0.73) KDRCDK1

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 PTK2 140/4885KDR 3/4885CDK1 58/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR PTK2 152/4885KDR 3/4885CDK1 59/4885

“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.