SCHEMBL6512131

SCHEMBL6512131

C=CCOC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(CCOS(=O)(=O)c4ccc(C)cc4)cc3)ncc2Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.39
KDR P35968 11/20 0.39
BTK Q06187 3/20 0.36
CDK2 P24941 3/20 0.35
CCNT1 O60563 2/20 0.35
CCNB2 O95067 2/20 0.35
CCNE2 O96020 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK9 P50750 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
AXL P30530 1/20 0.35
MAPK1 P28482 3/20 0.35

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 0.91 CDK1 (0.39) CDK1KDRBTKAXLMAPK1
SCHEMBL6888385 0.87 CDK1 (0.53) CDK1KDRBTKMAPK1
SCHEMBL6512138 0.85 CDK1 (0.37) CDK1KDRBTKCDK2CCNT1
SCHEMBL6510344 0.81 EGFR (0.41) CDK1KDRBTKAXLMAPK1
SCHEMBL6532726 0.80 CDK1 (0.46) CDK1KDRAXL
SCHEMBL6528626 0.79 PTK2 (0.36) BTKMAPK1
SCHEMBL6517883 0.75 CDK1 (0.65) CDK1KDR
SCHEMBL6519455 0.71 CDK1 (0.68) CDK1KDRBTK
SCHEMBL6888387 0.70 CDK1 (0.47) CDK1KDRBTKMAPK1
SCHEMBL6511549 0.70 CDK1 (0.49) CDK1KDRBTKAXL

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 2 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-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 (1 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 8/4885BTK 144/4885

“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.