SCHEMBL6513724

SCHEMBL6513724

CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(-n4ccnc4)cc3)ncc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.45
KDR P35968 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ADH5 P11766 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
EGFR P00533 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL6034123 0.88 KDR (0.47) CDK1KDRL3MBTL1LMNAMAPT
SCHEMBL6509225 0.83 CDK1 (0.61) CDK1KDRCDK2CDK9JAK2
SCHEMBL6509042 0.81 CDK1 (0.70) CDK1KDR
SCHEMBL6518760 0.78 CDK1 (0.43) CDK1KDRLMNAMAPTALDH1A1
SCHEMBL6508410 0.76 STK17B (0.46) CDK1KDRBTK
SCHEMBL6033977 0.74 CDK1 (0.47) CDK1KDRCCNA2CDK2CDK9
SCHEMBL6511549 0.74 CDK1 (0.49) CDK1KDREGFRBTK
SCHEMBL6033691 0.74 CDK1 (0.54) CDK1KDR
SCHEMBL6033191 0.73 CDK1 (0.53) CDK1KDREGFR
SCHEMBL6033857 0.71 KDR (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222175-B1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LTD (GB) 2005-12-14 EP disclosed
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 8/4885L3MBTL1 409/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 961/4885KDR 7/4885L3MBTL1 494/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 956/4885KDR 7/4885L3MBTL1 485/4885

“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.