SCHEMBL12156010

SCHEMBL12156010

Cn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2ccccc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.52
▸ HCAR3 P49019 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ JAK1 P23458 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ STIM1 Q13586 2/20 0.48
▸ ORAI1 Q96D31 2/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ABL1 P00519 1/20 0.45

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
SCHEMBL12156006 0.93 ADORA3 (0.53) DEGS1HCAR3RAB9ANPC1MAPT
SCHEMBL12241395 0.93 GRM5 (0.53) DEGS1HCAR3RAB9ANPC1SMN1; SMN2
SCHEMBL12241397 0.92 GRM5 (0.54) RAB9ANPC1MAPTSMN1; SMN2JAK1
SCHEMBL12156001 0.91 ALDH1A1 (0.56) RAB9ANPC1MAPTSMN1; SMN2ADORA1
SCHEMBL12156016 0.86 GRM5 (0.46) RAB9AMAPTJAK1STIM1ORAI1
SCHEMBL12156008 0.86 STIM1 (0.66) RAB9ANPC1MAPTSMN1; SMN2STIM1
SCHEMBL12156018 0.86 STIM1 (0.53) RAB9ANPC1MAPTSMN1; SMN2STIM1
SCHEMBL12156004 0.86 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2STIM1ORAI1
SCHEMBL12156019 0.82 MEN1 (0.47) DEGS1RAB9ANPC1SMN1; SMN2ADORA1
SCHEMBL23566420 0.78 DEGS1 (0.75) DEGS1HCAR3RAB9ANPC1MAPT

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 DEGS1 1319/4885HCAR3 550/4885RAB9A 1174/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 DEGS1 1319/4885HCAR3 550/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DEGS1 1319/4885HCAR3 550/4885RAB9A 1174/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DEGS1 1319/4885HCAR3 550/4885RAB9A 1174/4885

“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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