SCHEMBL936048

SCHEMBL936048

FC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)nn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 13/20 0.65
CYP1A2 P05177 4/20 0.57
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
MAPK14 Q16539 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL936298 0.84 SCN5A (0.70) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL937911 0.79 SCN5A (1.00) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL936783 0.79 SCN5A (0.60) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL20203828 0.77 CYP1A2 (0.65) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL937073 0.73 SCN5A (0.56) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL936862 0.72 CYP1A2 (1.00) SCN5ACYP1A2ALDH1A1
SCHEMBL22712656 0.72 SCN5A (0.65) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL936435 0.70 SCN5A (0.78) SCN5ACYP1A2SCN1ASCN2AMAPK14
SCHEMBL23414191 0.70 CYP1A2 (0.60) SCN5ACYP1A2ALDH1A1
SCHEMBL29824702 0.70 CYP1A2 (0.60) SCN5ACYP1A2ALDH1A1

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 9 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
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 1580/4885SCN1A 55/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SCN5A 52/4885CYP1A2 1580/4885SCN1A 55/4885

“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.