SCHEMBL253933

SCHEMBL253933

Cn1nc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.54
TDP2 O95551 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
KIF11 P52732 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
AHR P35869 1/20 0.40
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL253939 0.81 SCN5A (0.60) SCN5ATDP2GPR139SCN1ASCN2A
SCHEMBL11922116 0.76 SCN5A (0.36) SCN5AGPR139
SCHEMBL16579450 0.75 GPR139 (0.44) SCN5AGPR139SCN1ASCN2A
SCHEMBL252946 0.73 SCN5A (0.55) SCN5AGPR139SCN1ASCN2AMCHR1
SCHEMBL253140 0.73 SCN5A (0.55) SCN5AGPR139SCN1ASCN2AMCHR1
SCHEMBL252483 0.73 SCN5A (0.77) SCN5AGPR139SCN1ASCN2AMCHR1
SCHEMBL253971 0.73 SCN5A (0.77) SCN5ATDP2GPR139SCN1ASCN2A
SCHEMBL248917 0.73 GPR139 (0.56) SCN5AGPR139SCN1ASCN2A
SCHEMBL253944 0.73 SCN5A (0.77) SCN5AGPR139SCN1ASCN2A
SCHEMBL251785 0.73 SCN5A (0.77) SCN5AGPR139SCN1ASCN2AMCHR1

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 24 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
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP 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-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
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 (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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN5A 37/4885TDP2 3682/4885GPR139 230/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN5A 37/4885TDP2 3682/4885GPR139 230/4885

“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.