SCHEMBL252522

SCHEMBL252522

COc1ccccc1-c1nc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 9/20 0.70
SCN1A P35498 1/20 0.60
SCN2A Q99250 1/20 0.60
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
GPR139 Q6DWJ6 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM5 P08912 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL252974 0.82 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL252714 0.82 SCN5A (0.72) SCN5ASCN1ASCN2AGPR139MAPT
SCHEMBL253720 0.81 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL253051 0.81 SCN5A (0.68) SCN5ASCN1ASCN2AADORA2BADORA3
SCHEMBL15641728 0.81 SCN5A (0.79) SCN5ASCN1ASCN2AGPR139
SCHEMBL253360 0.81 SCN5A (0.63) SCN5ASCN1ASCN2AGPR139MAPT
SCHEMBL251585 0.81 SCN5A (0.71) SCN5ASCN1ASCN2AGPR139
SCHEMBL3435384 0.80 SCN5A (0.65) SCN5ASCN1ASCN2AGPR139
SCHEMBL252856 0.79 SCN5A (0.76) SCN5ASCN1ASCN2AGPR139
SCHEMBL252119 0.79 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US claimed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US claimed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US claimed
EP-2588197-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2013-05-08 EP claimed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US claimed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO claimed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE GILEAD SCIENCES, INC. (US) 2014-11-06 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
EP-2588197-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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 (3 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN5A 37/4885SCN1A 43/4885SCN2A 55/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN5A 37/4885SCN1A 43/4885SCN2A 55/4885
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE CAMKK2, CAMK4, CAMK1 SCN5A 45/4885SCN1A 51/4885SCN2A 26/4885

“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.