SCHEMBL13718604

SCHEMBL13718604

Cc1ccnn1CCn1ncc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.44
▸ SCN5A Q14524 8/20 0.41
▸ AURKA O14965 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ RPS6KA1 Q15418 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ NPBWR1 P48145 2/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ SCN1A P35498 2/20 0.37
▸ SCN2A Q99250 2/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL13717493 0.87 MCHR1 (0.43) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13820248 0.84 MCHR1 (0.43) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717441 0.83 MCHR1 (0.47) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717905 0.83 MCHR1 (0.44) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717387 0.83 MCHR1 (0.45) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13718128 0.82 AURKA (0.44) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717668 0.82 MCHR1 (0.44) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717873 0.82 MCHR1 (0.46) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717796 0.81 SCN5A (0.48) MCHR1SCN5AAURKAGRK2ROCK1
SCHEMBL13717525 0.81 SCN5A (0.58) MCHR1SCN5AAURKAGRK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP claimed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP claimed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 — — US claimed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 — — US claimed
EP-2707361-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-03-19 — — EP claimed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO claimed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US claimed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE GILEAD SCIENCES, INC. (US) 2014-11-06 — — US disclosed
EP-2707361-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-03-19 — — EP disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — 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 (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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MCHR1 3783/4885SCN5A 28/4885AURKA 3506/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MCHR1 3783/4885SCN5A 28/4885AURKA 3506/4885
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE CAMKK2, CAMK4, CAMK1 MCHR1 4415/4885SCN5A 45/4885AURKA 486/4885

“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.

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