SCHEMBL937670

SCHEMBL937670

Cc1nc(-c2ccc3nnnn3c2C)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 13/20 0.46
CYP1A2 P05177 4/20 0.46
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CACNA2D1 P54289 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL937083 0.88 SCN5A (0.47) SCN5ACYP1A2SCN1ASCN2ACACNA2D1
SCHEMBL936820 0.75 SCN5A (0.48) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL1160557 0.74 SCN5A (0.44) SCN5ACYP1A2KDM4EGAAMAPT
SCHEMBL937183 0.66 SCN5A (0.58) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL937481 0.66 CYP1A2 (0.75) SCN5ACYP1A2SCN1ASCN2ACLK2
SCHEMBL936555 0.65 SCN5A (0.61) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL21938185 0.64 GPR3 (0.46) SCN5ASCN1ASCN2AMAPTNPSR1
SCHEMBL937201 0.63 CYP1A2 (1.00) SCN5ACYP1A2SCN1ASCN2ADYRK1A
SCHEMBL1549232 0.63 TRPV3 (0.47) SCN5ACYP1A2SCN2AKDM4EGAA
SCHEMBL938211 0.62 SCN5A (0.54) SCN5ACYP1A2SCN1ASCN2AKDM4E

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 8 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 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
EP-2464645-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Palo Alto, Inc. (US) 2012-06-20 EP disclosed
WO-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO 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.