SCHEMBL15041706

SCHEMBL15041706

O=c1c(-c2cccc([S+]([O-])c3cncs3)c2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1Cc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 2/20 0.37
PAK1 Q13153 2/20 0.37
PAK2 Q13177 2/20 0.37
PKN1 Q16512 1/20 0.37
TNK2 Q07912 4/20 0.36
FGFR1 P11362 3/20 0.35
EGFR P00533 2/20 0.35
RIPK2 O43353 2/20 0.34
ACVR1 Q04771 2/20 0.34
NOD2 Q9HC29 2/20 0.34
WEE1 P30291 1/20 0.34
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL15036131 0.93 TNK2 (0.37) TNK2FGFR1EGFRRIPK2ACVR1
SCHEMBL15041653 0.79 EGFR (0.40) PAK3PAK1PAK2PKN1TNK2
SCHEMBL15035965 0.78 RIPK2 (0.39) PAK3PAK1PAK2PKN1TNK2
SCHEMBL14693031 0.76 ACVR1 (0.40) PAK3PAK1PAK2PKN1TNK2
SCHEMBL14682075 0.72 PKN1 (0.39) PAK3PAK1PAK2PKN1TNK2
SCHEMBL15041264 0.72 WEE1 (0.41) PAK3PAK1PAK2PKN1TNK2
SCHEMBL15787985 0.72 TYRO3 (0.42) TNK2FGFR1CDK4
SCHEMBL14682116 0.71 WEE1 (0.41) PAK3PAK1PAK2PKN1TNK2
SCHEMBL14682049 0.71 TNK2 (0.38) TNK2
SCHEMBL15035684 0.71 PAK1 (0.41) PAK3PAK1PAK2PKN1TNK2

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 PAK3 3/4885PAK1 6/4885PAK2 1/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK1 4/4885PAK2 2/4885

“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.