SCHEMBL938045

SCHEMBL938045

COCC(F)(F)c1nnc2ccc(C#Cc3ccc(F)cc3)cn12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.45
MAPK14 Q16539 7/20 0.37
MAPK13 O15264 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.33
CYP1A2 P05177 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
SCHEMBL12909264 0.90 SCN5A (0.40) SCN5ASCN1ASCN2AGRM5CYP1A2
SCHEMBL936828 0.90 SCN5A (0.40) SCN5AMAPK14SCN1ASCN2AGRM5
SCHEMBL936594 0.89 SCN5A (0.47) SCN5ASCN1ASCN2AALDH1A1CYP1A2
SCHEMBL937047 0.87 SCN5A (0.50) SCN5ASCN1ASCN2ACYP1A2
SCHEMBL936335 0.79 SCN5A (0.59) SCN5AMAPK14SCN1ASCN2AALDH1A1
SCHEMBL938219 0.77 SCN5A (0.44) SCN5ASCN1ASCN2ACYP1A2
SCHEMBL937258 0.72 SCN5A (0.50) SCN5ASCN1ASCN2AALDH1A1CYP1A2
SCHEMBL12945167 0.72 SCN5A (0.68) SCN5ASCN1ASCN2AALDH1A1CYP1A2
SCHEMBL21201941 0.72 SCN5A (0.46) SCN5AMAPK14MAPK13SCN1ASCN2A
SCHEMBL937109 0.71 SCN5A (0.70) SCN5ASCN1ASCN2ACYP1A2

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 52/4885MAPK14 3348/4885MAPK13 2730/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SCN5A 52/4885MAPK14 3348/4885MAPK13 2730/4885

“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.