SCHEMBL12156202

SCHEMBL12156202

Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.55
▸ ORAI1 Q96D31 3/20 0.55
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.51
▸ DYRK1A Q13627 3/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ WNT1 P04628 1/20 0.50
▸ ABL1 P00519 1/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ ABCB1 P08183 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ POLB P06746 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
SCHEMBL16572264 0.93 NPC1 (0.48) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12156008 0.91 STIM1 (0.66) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155573 0.90 STIM1 (0.65) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12156187 0.90 IL2 (0.49) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12156191 0.87 STIM1 (0.57) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155522 0.86 STIM1 (0.54) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155545 0.85 NPC1 (0.52) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155571 0.85 STIM1 (0.55) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155562 0.85 NPC1 (0.56) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155588 0.85 STIM1 (0.54) STIM1ORAI1NPC1RAB9ASMN1; SMN2

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 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885

“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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