SCHEMBL937513

SCHEMBL937513

FC(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.70
SCN5A Q14524 7/20 0.70
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
DYRK1A Q13627 3/20 0.43
CLK2 P49760 1/20 0.39
HASPIN Q8TF76 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
SCHEMBL26538864 0.90 CYP1A2 (0.58) CYP1A2SCN5A
SCHEMBL20203793 0.83 CYP1A2 (0.65) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL937201 0.82 CYP1A2 (1.00) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL937481 0.82 CYP1A2 (0.75) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203901 0.82 CYP1A2 (0.60) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL937008 0.82 CYP1A2 (0.55) CYP1A2SCN5A
SCHEMBL938352 0.82 CYP1A2 (0.49) CYP1A2SCN5A
SCHEMBL20203948 0.81 CYP1A2 (1.00) CYP1A2SCN5ADYRK1ACLK2HASPIN
SCHEMBL20203775 0.81 CYP1A2 (0.76) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203774 0.80 CYP1A2 (0.80) CYP1A2SCN5ASCN1ASCN2ADYRK1A

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 15 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
EP-2464645-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Palo Alto, Inc. (US) 2012-06-20 EP claimed
WO-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO 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
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 8/4885SCN1A 1/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885SCN1A 55/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885SCN1A 55/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885SCN1A 1/4885

“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.