SCHEMBL937073

SCHEMBL937073

COCC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 11/20 0.56
CYP1A2 P05177 3/20 0.55
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL936967 0.89 SCN5A (0.49) SCN5ACYP1A2SCN1ASCN2AKDR
SCHEMBL936298 0.88 SCN5A (0.70) SCN5ACYP1A2SCN1ASCN2AALDH1A1
SCHEMBL12945167 0.81 SCN5A (0.68) SCN5ACYP1A2SCN1ASCN2AALDH1A1
SCHEMBL937109 0.77 SCN5A (0.70) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL936326 0.75 SCN5A (0.57) SCN5ASCN1ASCN2ANPSR1KDR
SCHEMBL936335 0.75 SCN5A (0.59) SCN5ASCN1ASCN2AALDH1A1MAPK14
SCHEMBL20208595 0.75 SCN5A (0.59) SCN5ACYP1A2ALDH1A1RECQLNPSR1
SCHEMBL20203828 0.74 CYP1A2 (0.65) SCN5ACYP1A2SCN1ASCN2AL3MBTL1
SCHEMBL26539704 0.74 CYP1A2 (0.58) SCN5ACYP1A2ALDH1A1RECQLL3MBTL1
SCHEMBL937110 0.74 SCN5A (0.56) SCN5ACYP1A2SCN1ASCN2A

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 23 patents — showing the first 20. 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
WO-2023211856-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed
WO-2023211852-A1 TREATMENT OF NEUROLOGICAL DISORDERS PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed
US-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20220220118-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-07-14 US disclosed
US-20220024930-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-01-27 US disclosed
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 (6 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-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator SCN1A, SCN3A, CACNA1F SCN5A 8/4885CYP1A2 3672/4885SCN1A 1/4885
US-20220220118-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A SCN5A 5/4885CYP1A2 2873/4885SCN1A 1/4885
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator SCN1A, SCN3A, CACNA1F SCN5A 8/4885CYP1A2 3699/4885SCN1A 1/4885
US-20220024930-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A SCN5A 5/4885CYP1A2 2873/4885SCN1A 1/4885
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.