SCHEMBL6532726

SCHEMBL6532726

C=CCOC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(CCOS(=O)(=O)c4ccccc4C)cc3)ncc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.46
KDR P35968 11/20 0.46
PTK2 Q05397 5/20 0.38
HDAC1 Q13547 1/20 0.35
ALK Q9UM73 1/20 0.35
AXL P30530 1/20 0.34

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
SCHEMBL6528622 0.90 CDK1 (0.39) CDK1KDRPTK2AXL
SCHEMBL6532732 0.86 CDK1 (0.40) CDK1KDRPTK2HDAC1ALK
SCHEMBL6517883 0.85 CDK1 (0.65) CDK1KDR
SCHEMBL6512131 0.80 CDK1 (0.39) CDK1KDRAXL
SCHEMBL6034767 0.80 KDR (0.51) CDK1KDR
SCHEMBL6511549 0.79 CDK1 (0.49) CDK1KDRAXL
SCHEMBL6519455 0.79 CDK1 (0.68) CDK1KDR
SCHEMBL6528626 0.77 PTK2 (0.36) PTK2HDAC1ALK
SCHEMBL6888385 0.74 CDK1 (0.53) CDK1KDR
SCHEMBL6509042 0.73 CDK1 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 US disclosed
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 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 (3 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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 CDK1 435/4885KDR 8/4885PTK2 454/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 961/4885KDR 7/4885PTK2 91/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 956/4885KDR 7/4885PTK2 89/4885

“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.