SCHEMBL937579

SCHEMBL937579

FC(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.75
SCN5A Q14524 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
DGAT1 O75907 2/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
SCN9A Q15858 1/20 0.36
MET P08581 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RECQL P46063 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
SCHEMBL938456 0.90 CYP1A2 (0.73) CYP1A2SCN5AL3MBTL1TRPV3DGAT1
SCHEMBL936862 0.86 CYP1A2 (1.00) CYP1A2SCN5AL3MBTL1TRPV3NPSR1
SCHEMBL20203716 0.84 CYP1A2 (0.78) CYP1A2SCN5AL3MBTL1TRPV3NPSR1
SCHEMBL20203755 0.83 CYP1A2 (0.84) CYP1A2SCN5AL3MBTL1TRPV3NPSR1
SCHEMBL20203703 0.81 CYP1A2 (0.50) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL20203715 0.80 CYP1A2 (0.72) CYP1A2SCN5AL3MBTL1TRPV3NPSR1
SCHEMBL20203854 0.80 CYP1A2 (0.53) CYP1A2SCN5AL3MBTL1TRPV3NPSR1
SCHEMBL937513 0.73 CYP1A2 (0.70) CYP1A2SCN5A
SCHEMBL23522703 0.73 CYP1A2 (0.68) CYP1A2SCN5AL3MBTL1METKDM4E
SCHEMBL20203740 0.73 CYP1A2 (0.68) CYP1A2SCN5AL3MBTL1METKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US claimed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US claimed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US claimed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO 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 (4 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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885L3MBTL1 1392/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885L3MBTL1 4229/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885L3MBTL1 4229/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885L3MBTL1 1392/4885

“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.