SCHEMBL15036086

SCHEMBL15036086

CN(C)CC[S+]([O-])c1cn(C)c(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.36
FGFR1 P11362 5/20 0.34
RIPK2 O43353 7/20 0.34
NOD2 Q9HC29 7/20 0.34
ACVR1 Q04771 6/20 0.33
WEE1 P30291 3/20 0.32
PAK4 O96013 2/20 0.32
PKN1 Q16512 2/20 0.32
EGFR P00533 2/20 0.32
PAK1 Q13153 1/20 0.31

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
SCHEMBL15036021 0.79 RIPK2 (0.40) SRCFGFR1RIPK2NOD2ACVR1
SCHEMBL14681945 0.78 PAK1 (0.40) RIPK2NOD2ACVR1WEE1PAK4
SCHEMBL14681990 0.73
SCHEMBL15035095 0.73 PAK3 (0.39) PKN1PAK1
SCHEMBL15036005 0.72 WEE1 (0.35) FGFR1WEE1PAK4PKN1PAK1
SCHEMBL15036128 0.71 PAK4 (0.47) WEE1PAK4PKN1PAK1
SCHEMBL15036120 0.71 RIPK2 (0.39) SRCFGFR1RIPK2NOD2ACVR1
SCHEMBL14682028 0.70 CDK4 (0.42) SRCFGFR1RIPK2NOD2ACVR1
SCHEMBL15036153 0.70 WEE1 (0.45) FGFR1RIPK2NOD2ACVR1WEE1
SCHEMBL15041701 0.70 SRC (0.38) SRCFGFR1RIPK2NOD2ACVR1

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
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 SRC 222/4885FGFR1 1720/4885RIPK2 870/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 SRC 26/4885FGFR1 1919/4885RIPK2 971/4885

“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.