SCHEMBL15041673

SCHEMBL15041673

CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc([S+]([O-])c6ccccc6)cc5)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.42
RIPK2 O43353 3/20 0.41
ACVR1 Q04771 3/20 0.41
NOD2 Q9HC29 3/20 0.41
WEE1 P30291 1/20 0.39
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 2/20 0.38
PAK4 O96013 1/20 0.38
PKN1 Q16512 1/20 0.38
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK14 Q16539 1/20 0.37
JAK3 P52333 1/20 0.37
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL14682020 0.80 PKN1 (0.51) TNK2WEE1FGFR1SRCPAK4
SCHEMBL15035769 0.76 WEE1 (0.39) TNK2WEE1EGFRFGFR1SRC
SCHEMBL15036142 0.76 CAMK2D (0.43) TNK2RIPK2ACVR1NOD2WEE1
SCHEMBL15041662 0.74 PKN1 (0.43) TNK2RIPK2ACVR1NOD2PAK4
SCHEMBL15036133 0.74 TNK2 (0.43) TNK2PAK4PKN1
SCHEMBL15036038 0.72 PAK4 (0.47) TNK2WEE1EGFRFGFR1SRC
SCHEMBL13553624 0.71 JAK3 (0.44) TNK2WEE1EGFRFGFR1SRC
SCHEMBL15035882 0.70 CDK4 (0.49) EGFRFGFR1JAK3
SCHEMBL16309178 0.70 TNK2 (0.43) TNK2RIPK2NOD2WEE1EGFR
SCHEMBL13554015 0.70 PAK1 (0.59) TNK2WEE1EGFRFGFR1PAK4

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 TNK2 14/4885RIPK2 870/4885ACVR1 4855/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885RIPK2 971/4885ACVR1 4752/4885

“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.