SCHEMBL15036046

SCHEMBL15036046

CC(C)S(=O)(=O)n1ccnc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.39
AURKA O14965 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 13/20 0.35
CCNA2 P20248 8/20 0.35
CDK2 P24941 8/20 0.35
FGFR1 P11362 7/20 0.35
FGFR2 P21802 7/20 0.35
FGFR4 P22455 7/20 0.35
FGFR3 P22607 7/20 0.35
CCND2 P30279 3/20 0.34
CCND3 P30281 3/20 0.34
CCNA1 P78396 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
BRAF P15056 1/20 0.32
EGFR P00533 1/20 0.32
NUAK1 O60285 1/20 0.32

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
SCHEMBL14682022 0.81 CDK4 (0.37) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL13553677 0.80 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15785293 0.78 CDK4 (0.38) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035970 0.77 JAK2 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041857 0.76 CDK4 (0.39) CDK4AURKACDK1CCNB1CCND1
SCHEMBL15036119 0.73 AURKA (0.40) CDK4AURKACDK1CCNB1CCND1
SCHEMBL15787824 0.73 CDK4 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL14682003 0.72 CDK4 (0.36) CDK4CDK1CCNB1CCND1CCNA2
SCHEMBL14693014 0.72 CDK4 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036136 0.72 CDK4 (0.45) CDK4CCND1CCNA2CDK2FGFR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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
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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 CDK4 471/4885AURKA 1737/4885CDK1 887/4885
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.