SCHEMBL6510344

SCHEMBL6510344

C=CCOC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(CCn4ccnc4)cc3)ncc2Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.41
CDK1 P06493 10/20 0.41
KDR P35968 10/20 0.41
ITK Q08881 1/20 0.37
BTK Q06187 1/20 0.36
MAPK1 P28482 2/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL6511549 0.89 CDK1 (0.49) EGFRCDK1KDRBTKAXL
SCHEMBL6888385 0.88 CDK1 (0.53) CDK1KDRBTKMAPK1
SCHEMBL6510348 0.84 EGFR (0.40) EGFRCDK1KDRITKBTK
SCHEMBL7081857 0.82 CDK1 (0.56) CDK1KDRMAPK1AXL
SCHEMBL6512131 0.81 CDK1 (0.39) CDK1KDRBTKMAPK1AXL
SCHEMBL6528622 0.81 CDK1 (0.39) CDK1KDRBTKMAPK1AXL
SCHEMBL6511553 0.80 EGFR (0.41) EGFRCDK1KDRBTK
SCHEMBL6517883 0.76 CDK1 (0.65) CDK1KDR
SCHEMBL6528626 0.76 PTK2 (0.36) BTKMAPK1
SCHEMBL6519455 0.75 CDK1 (0.68) EGFRCDK1KDRBTK

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 3 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-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 (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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 EGFR 44/4885CDK1 435/4885KDR 8/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 EGFR 33/4885CDK1 956/4885KDR 7/4885

“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.