SCHEMBL938540

SCHEMBL938540

FC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)OCc4cc(-c5ccccc5)on4)n3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 1/20 0.37
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MET P08581 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL936801 0.89 SCN5A (0.39) SCN5AMAPK14SCN1ASCN2APPARD
SCHEMBL939173 0.82 SCN5A (0.53) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL936298 0.77 SCN5A (0.70) SCN5ACYP1A2NPSR1MAPK14SCN1A
SCHEMBL938049 0.75 SCN5A (0.53) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL937113 0.72 SCN5A (0.49) SCN5ACYP1A2SCN1ASCN2AALDH1A1
SCHEMBL937073 0.71 SCN5A (0.56) SCN5ACYP1A2NPSR1MAPK14SCN1A
SCHEMBL936347 0.68 SCN5A (0.59) SCN5ASCN1ASCN2A
SCHEMBL23414244 0.68 CYP1A2 (0.53) SCN5ACYP1A2NPSR1ALDH1A1RECQL
SCHEMBL29824792 0.68 CYP1A2 (0.53) SCN5ACYP1A2NPSR1ALDH1A1RECQL
SCHEMBL23116242 0.67 CYP1A2 (0.54) SCN5ACYP1A2ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP claimed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
US-8754103-B2 2014-06-17 US claimed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US claimed
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SCN5A 52/4885CYP1A2 1580/4885NPSR1 1075/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SCN5A 52/4885CYP1A2 1580/4885NPSR1 1075/4885

“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.