SCHEMBL16821802

SCHEMBL16821802

COc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.42
SYK P43405 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 3/20 0.36
KIT P10721 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NR4A2 P43354 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 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
SCHEMBL16821860 0.89 SCN5A (0.39) CYP1A2
SCHEMBL16821879 0.88 ALOX5AP (0.45) CYP1A2CYP2C9
SCHEMBL16821869 0.86 SYK (0.41) SYKALDH1A1MEN1KMT2AKIT
SCHEMBL16821778 0.86 SCN5A (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16821894 0.84 GRM5 (0.45) CTSASYKCYP1A2CYP3A4CYP2C9
SCHEMBL16821763 0.81 CTSA (0.34) CTSAALDH1A1MEN1KMT2ACRHR1
SCHEMBL16821844 0.80 SCN5A (0.36) CTSASYKALDH1A1MEN1KMT2A
SCHEMBL16821907 0.80 CYP17A1 (0.37) CTSACRHR1KIT
SCHEMBL16821736 0.80 SCN5A (0.38) SYK
SCHEMBL16821782 0.80 SYK (0.36) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 US disclosed
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 US disclosed
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 US disclosed
EP-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed
EP-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
EP-3092234-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2016-11-16 EP disclosed
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-9416115-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCINECES, INC. (US) 2016-08-16 US disclosed
US-9416115-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCINECES, INC. (US) 2016-08-16 US disclosed
US-9416115-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCINECES, INC. (US) 2016-08-16 US disclosed
WO-2015094670-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2015-06-25 WO disclosed
WO-2015094670-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2015-06-25 WO disclosed
US-20150175560-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-06-25 US disclosed
US-20150175560-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-06-25 US disclosed
US-20150175560-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-06-25 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-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS CACNA1A, KCNJ2, KCNH2 CTSA 4079/4885SYK 2154/4885ALDH1A1 2462/4885
US-20150175560-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS CACNA1A, KCNJ2, KCNH2 CTSA 4079/4885SYK 2154/4885ALDH1A1 2462/4885
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS CACNA1A, KCNJ2, KCNH2 CTSA 4079/4885SYK 2154/4885ALDH1A1 2462/4885

“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.