SCHEMBL16945283

SCHEMBL16945283

Cc1cn2c(C(=O)NCc3cccc(OC(F)(F)F)c3)c(C)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 1/20 0.51
GLS O94925 8/20 0.51
MMP13 P45452 1/20 0.49
RIPK1 Q13546 4/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL16945285 0.90 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL16945273 0.88 LMNA (0.54) ROCK2ROCK1MMP13
SCHEMBL16945334 0.87 MAPK14 (0.52) MAPK14MMP13PPARGPPARDPPARA
SCHEMBL16945305 0.86 LMNA (0.45) ROCK2ROCK1MMP13
SCHEMBL16945312 0.86 ROCK1 (0.51) ROCK2ROCK1
SCHEMBL16945287 0.86 CCR1 (0.49) MAPK14RIPK1
SCHEMBL16945336 0.85 MMP13 (0.46) MAPK14MMP13
SCHEMBL16945269 0.85 SCD (0.50)
SCHEMBL16945335 0.83 PPARG (0.46) MAPK14MMP13PPARGPPARDPPARA
SCHEMBL16945280 0.83 KMT2A (0.52)

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
EP-2875029-B1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS MORASKI GARRETT (US) 2021-11-10 EP disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 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 (1 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-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS API5, CASP5, IL5 MAPK14 3090/4885ROCK2 3440/4885ROCK1 3420/4885

“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.