SCHEMBL12909263

SCHEMBL12909263

Cc1ccc(-c2ccc3c(C#N)nc(C(F)(F)F)n3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
SCN5A Q14524 11/20 0.38
ERBB2 P04626 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
ALDH1A3 P47895 1/20 0.33
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL26459840 0.82 SCN5A (0.42) ARSCN5ASCN1ASCN2A
SCHEMBL20209047 0.80 CYP1A2 (0.47) SCN5ASCN1ASCN2A
SCHEMBL12909265 0.79 SCN5A (0.40) SCN5AALDH1A1HPGDKDM4ESCN1A
SCHEMBL20209270 0.77 RXFP1 (0.35) ERBB2ALDH1A1KDM4EGRM5MEN1
SCHEMBL26460508 0.76 SCN5A (0.46) SCN5ASCN1ASCN2A
SCHEMBL26462405 0.76 SSTR4 (0.32) SCN5A
SCHEMBL20209044 0.76 CYP1A2 (0.44) SCN5AALDH1A1GRM5
SCHEMBL937960 0.71 SSTR4 (0.48) NPC1ALDH1A1HPGDKDM4EMAPT
SCHEMBL26460881 0.70 CYP1A2 (0.35) SCN5A
SCHEMBL20209636 0.70 ADORA2A (0.39) SCN5ANPC1RAB9AALDH1A1HPGD

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 5 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 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
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 AR 2670/4885SCN5A 52/4885ERBB2 3503/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 AR 2670/4885SCN5A 52/4885ERBB2 3503/4885

“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.