SCHEMBL15036073

SCHEMBL15036073

CN(C)CCS(=O)(=O)c1csc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(C3CCCC3)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.43
CCND1 P24385 17/20 0.43
CDK2 P24941 12/20 0.43
CCNA2 P20248 11/20 0.43
FGFR1 P11362 9/20 0.43
FGFR2 P21802 9/20 0.43
FGFR4 P22455 9/20 0.43
FGFR3 P22607 9/20 0.43
CCND2 P30279 4/20 0.43
CCND3 P30281 4/20 0.43
CCNA1 P78396 1/20 0.43
EGFR P00533 1/20 0.42
CDK9 P50750 2/20 0.41
CDK1 P06493 1/20 0.41
CCNT1 O60563 1/20 0.40

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
SCHEMBL15041718 0.79 PAK3 (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15281050 0.78 CCND1 (0.40) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15281036 0.77 CDK4 (0.42) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041659 0.76 CDK4 (0.43) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13553797 0.75 CDK4 (0.49) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035999 0.74 CCND1 (0.41) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15036108 0.72 PAK1 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL14682006 0.71 FGFR1 (0.48) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041613 0.71 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL16309185 0.71 RIPK2 (0.41) CDK4CCND1FGFR1CCND2CCND3

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 471/4885CCND1 4379/4885CDK2 226/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.