SCHEMBL12156016

SCHEMBL12156016

Cn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(Cl)cccc2Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ STIM1 Q13586 3/20 0.44
▸ ORAI1 Q96D31 3/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL12156004 0.90 SMN1; SMN2 (0.52) GRM5STIM1ORAI1RAB9A
SCHEMBL12156018 0.88 STIM1 (0.53) GRM5MAPTSTIM1ORAI1RAB9A
SCHEMBL12156006 0.86 ADORA3 (0.53) GRM5MAPTRAB9A
SCHEMBL12156010 0.86 DEGS1 (0.52) GRM5MAPTSTIM1ORAI1RAB9A
SCHEMBL12156001 0.86 ALDH1A1 (0.56) GRM5MAPTRAB9A
SCHEMBL12241397 0.82 GRM5 (0.54) GRM5MAPTPOLBRAB9AJAK1
SCHEMBL12241395 0.82 GRM5 (0.53) GRM5RAB9A
SCHEMBL12156008 0.81 STIM1 (0.66) GRM5MAPTSTIM1ORAI1RAB9A
SCHEMBL12155563 0.81 DYRK1A (0.47) MAPTSTIM1ORAI1RAB9A
SCHEMBL12155539 0.78 STIM1 (0.52) STIM1ORAI1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM5 1117/4885MAPT 1478/4885STIM1 17/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 GRM5 1117/4885MAPT 1478/4885STIM1 17/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM5 1117/4885MAPT 1478/4885STIM1 17/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM5 1117/4885MAPT 1478/4885STIM1 17/4885

“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.

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