SCHEMBL16945287

SCHEMBL16945287

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.49
MLYCD O95822 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
DDT P30046 1/20 0.48
MAPK14 Q16539 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
SCD O00767 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL16945334 0.89 MAPK14 (0.52) MAPK14
SCHEMBL16945286 0.87 PPARA (0.49) MAPK14LMNA
SCHEMBL16945269 0.86 SCD (0.50) GAASCDLMNA
SCHEMBL16945283 0.86 MAPK14 (0.53) MAPK14RIPK1
SCHEMBL16949298 0.84 PPARA (0.52) GAALMNA
SCHEMBL16945280 0.84 KMT2A (0.52) KMT2AMEN1LMNA
SCHEMBL18656569 0.84 LMNA (0.41) CYP2D6TDP1SCDLMNA
SCHEMBL16945276 0.84 LMNA (0.53) GAASCDLMNAHPGD
SCHEMBL24003414 0.83 SMN1; SMN2 (0.44) GAASCDLMNA
SCHEMBL16945273 0.83 LMNA (0.54) KMT2AMEN1CYP3A4CYP2D6LMNA

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 CCR1 840/4885MLYCD 371/4885KMT2A 1898/4885

“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.