SCHEMBL15035965

SCHEMBL15035965

O=c1c(-c2cccc([S+]([O-])c3ccccc3)c2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n1Cc1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.39
ACVR1 Q04771 4/20 0.39
NOD2 Q9HC29 4/20 0.39
EGFR P00533 2/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
TNK2 Q07912 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
WEE1 P30291 1/20 0.36
PAK3 O75914 1/20 0.35

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
SCHEMBL15041653 0.96 EGFR (0.40) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL15036131 0.80 TNK2 (0.37) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL15041706 0.78 PAK3 (0.37) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL13553626 0.78 CDK4 (0.41) FGFR1TNK2PAK3PAK1PAK2
SCHEMBL15041705 0.77 EGFR (0.39) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL16310843 0.77 PAK4 (0.39) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL13553829 0.76 RIPK2 (0.47) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL15041263 0.75 PKN1 (0.37) TNK2PAK3PAK1PAK2PKN1
SCHEMBL15035737 0.73 CDK4 (0.40) RIPK2ACVR1NOD2FGFR1SRC
SCHEMBL14693031 0.72 ACVR1 (0.40) RIPK2ACVR1NOD2EGFRFGFR1

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 RIPK2 870/4885ACVR1 4855/4885NOD2 4141/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.