SCHEMBL15041705

SCHEMBL15041705

Cc1cc([S+]([O-])c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
RIPK2 O43353 2/20 0.38
ACVR1 Q04771 2/20 0.38
NOD2 Q9HC29 2/20 0.38
PAK3 O75914 3/20 0.38
PAK1 Q13153 3/20 0.38
PAK2 Q13177 3/20 0.38
PKN1 Q16512 2/20 0.38
CDK4 P11802 1/20 0.38
CDK6 Q00534 1/20 0.38
PAK4 O96013 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
WEE1 P30291 3/20 0.38
SRC P12931 1/20 0.38
TNK2 Q07912 3/20 0.37
SYK P43405 1/20 0.37
STK4 Q13043 2/20 0.37
STK3 Q13188 2/20 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
SCHEMBL16310843 0.91 PAK4 (0.39) EGFRFGFR1RIPK2ACVR1NOD2
SCHEMBL13553863 0.80 PAK1 (0.41) EGFRFGFR1PAK3PAK1PAK2
SCHEMBL15787930 0.77 CDK4 (0.40) EGFRFGFR1RIPK2ACVR1NOD2
SCHEMBL15035965 0.77 RIPK2 (0.39) EGFRFGFR1RIPK2ACVR1NOD2
SCHEMBL14682092 0.77 PAK1 (0.40) EGFRFGFR1PAK3PAK1PAK2
SCHEMBL15785350 0.77 CDK4 (0.40) EGFRFGFR1PAK3PAK1PAK2
SCHEMBL15035217 0.75 PAK1 (0.53) EGFRFGFR1RIPK2ACVR1NOD2
SCHEMBL15035737 0.74 CDK4 (0.40) FGFR1RIPK2ACVR1NOD2CDK4
SCHEMBL15041653 0.73 EGFR (0.40) EGFRFGFR1RIPK2ACVR1NOD2
SCHEMBL15035218 0.73 PAK1 (0.58) EGFRFGFR1RIPK2ACVR1NOD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EGFR 2713/4885FGFR1 1720/4885RIPK2 870/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 EGFR 737/4885FGFR1 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.