SCHEMBL13820403

SCHEMBL13820403

O=C1NCSc2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.49
PARP1 P09874 1/20 0.49
PARP11 Q9NR21 1/20 0.45
RYR2 Q92736 1/20 0.42
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41
S100A4 P26447 1/20 0.39
TDP2 O95551 1/20 0.38
PTPRC P08575 1/20 0.35
CTSL P07711 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 4/20 0.34

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
SCHEMBL13820398 0.73 CLK4 (0.42) PARP10PARP1PARP11RYR2PIM1
SCHEMBL30970176 0.73 TDP1 (0.50) RYR2CES1S100A4TDP2PTPRC
SCHEMBL8470959 0.73 AHR (0.36) PARP10PARP1PARP11MEN1KMT2A
SCHEMBL8658609 0.73 CA12 (0.45) PARP10PARP1PARP11RYR2S100A4
SCHEMBL30829218 0.72 S100A4 (0.43) PARP10PARP1TGM2CES1S100A4
SCHEMBL5329304 0.72 S100A4 (0.43) PARP10PARP1TGM2CES1S100A4
SCHEMBL8472050 0.71 SNCA (0.38) PARP10PARP1PARP11TGM2CES1
SCHEMBL69249 0.69 VHL (0.64) PARP10PARP1PARP11RYR2TGM2
SCHEMBL30657972 0.69 PARP10 (0.54) PARP10PARP1PARP11RYR2TGM2
SCHEMBL26653947 0.69 PARP10 (0.54) PARP10PARP1PARP11RYR2TGM2

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
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 WO disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 PARP10 2363/4885PARP1 3387/4885PARP11 2224/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 PARP10 2363/4885PARP1 3387/4885PARP11 2224/4885

“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.