SCHEMBL15035883

SCHEMBL15035883

Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ncoc2S(=O)(=O)c2ccncc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.37
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 5/20 0.33
MAPK14 Q16539 3/20 0.33
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
TNK2 Q07912 5/20 0.33
PTK2 Q05397 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33

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
SCHEMBL15041629 0.94 MAPK14 (0.38) CDK4AURKACDK1CCNB1MAPK14
SCHEMBL15035023 0.84 CDK4 (0.38) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15034908 0.84 CDK4 (0.39) CDK4AURKACDK1CCNB1CCND1
SCHEMBL15034799 0.81 CDK4 (0.36) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035793 0.79 CDK4 (0.38) CDK4CCND1MAPK14FGFR1FGFR2
SCHEMBL15034930 0.78 PTK2 (0.38) CDK4CCND1MAPK14FGFR1FGFR2
SCHEMBL15041774 0.78 MAPK14 (0.41) CDK4CCND1MAPK14FGFR1FGFR2
SCHEMBL15041408 0.78 MAPK8 (0.40) CDK4CCND1MAPK14FGFR1FGFR2
SCHEMBL15041830 0.77 RIPK2 (0.45) CDK4CCND1MAPK14PTK2MAPK8
SCHEMBL15035332 0.75 CDK4 (0.41) CDK4CCND1FGFR1FGFR2FGFR4

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 CDK4 441/4885AURKA 1608/4885CDK1 832/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885AURKA 653/4885CDK1 449/4885

“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.