SCHEMBL15036047

SCHEMBL15036047

COCCS(=O)(=O)c1cccc(-c2cc3cnc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3n(Cc3nccs3)c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.40
RIPK2 O43353 8/20 0.40
NOD2 Q9HC29 7/20 0.40
ACVR1 Q04771 6/20 0.40
SRC P12931 3/20 0.38
WEE1 P30291 1/20 0.37
FGFR4 P22455 1/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL14682078 0.79 RIPK2 (0.42) TNK2RIPK2NOD2ACVR1SRC
SCHEMBL14682023 0.78 TNK2 (0.39) TNK2SRC
SCHEMBL15785300 0.78 TNK2 (0.41) TNK2SRCWEE1
SCHEMBL15787983 0.78 TNK2 (0.39) TNK2SRCWEE1
SCHEMBL13553708 0.78 TNK2 (0.38) TNK2SRCWEE1
SCHEMBL13555033 0.77 TNK2 (0.36) TNK2SRCWEE1
SCHEMBL15036088 0.77 RIPK2 (0.44) TNK2RIPK2NOD2ACVR1SRC
SCHEMBL15036122 0.76 RIPK2 (0.47) TNK2RIPK2NOD2ACVR1SRC
SCHEMBL15041707 0.76 RIPK2 (0.43) TNK2RIPK2NOD2ACVR1WEE1
SCHEMBL15237011 0.76 TNK2 (0.49) TNK2RIPK2NOD2ACVR1SRC

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-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
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 TNK2 14/4885RIPK2 870/4885NOD2 4141/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885RIPK2 971/4885NOD2 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.