SCHEMBL15041463

SCHEMBL15041463

CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc([S+](C)[O-])cc5)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.43
CCNE1 P24864 16/20 0.43
CCND1 P24385 13/20 0.43
CDK6 Q00534 13/20 0.43
CDK9 P50750 6/20 0.43
CCNT1 O60563 5/20 0.43
CDK4 P11802 4/20 0.43
CDK1 P06493 3/20 0.43
PIK3CD O00329 1/20 0.43
PRKAB2 O43741 1/20 0.43
NUAK1 O60285 1/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
MARK3 P27448 1/20 0.43

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
SCHEMBL14693011 0.84 PAK4 (0.44) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15041248 0.83 PAK4 (0.40) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15036152 0.80 CDK2 (0.46) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL14682053 0.77 CCND1 (0.47) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL14682086 0.77 PKN1 (0.47) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15041520 0.77 CCNE1 (0.46) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15041691 0.76 CDK2 (0.38) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL14681989 0.76 CCND1 (0.49) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15036013 0.76 PAK4 (0.47) CDK2CCNE1CCND1CDK6CDK9
SCHEMBL15041283 0.75 CDK4 (0.47) CDK2CCNE1CCND1CDK6CDK9

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-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-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 CDK2 226/4885CCNE1 4426/4885CCND1 4379/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK2 183/4885CCNE1 1585/4885CCND1 2153/4885

“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.