SCHEMBL16464082

SCHEMBL16464082

Cc1nc(-c2cc(-c3cnc(NC(=O)c4c(F)ccc(F)c4F)s3)n(C)n2)no1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 11/20 0.57
▸ ORAI1 Q96D31 11/20 0.57
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRM5 P41594 1/20 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
SCHEMBL17052588 0.95 STIM1 (0.55) STIM1ORAI1ADORA2ANPC1RAB9A
SCHEMBL16466046 0.92 STIM1 (0.65) STIM1ORAI1
SCHEMBL16463729 0.90 STIM1 (0.62) STIM1ORAI1
SCHEMBL10201082 0.81 STIM1 (0.56) STIM1ORAI1ADORA2ANPC1RAB9A
SCHEMBL16465648 0.80 STIM1 (0.58) STIM1ORAI1
SCHEMBL16463875 0.77 STIM1 (0.61) STIM1ORAI1ADORA2ANPC1RAB9A
SCHEMBL17052589 0.76 STIM1 (0.56) STIM1ORAI1GRM5
SCHEMBL10201057 0.74 STIM1 (0.82) STIM1ORAI1RAB9A
SCHEMBL10201056 0.74 STIM1 (0.82) STIM1ORAI1
SCHEMBL12155590 0.74 STIM1 (0.56) STIM1ORAI1GRM5

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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US claimed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US claimed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US claimed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — WO claimed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US disclosed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — WO disclosed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — WO 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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA2A 1775/4885
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA2A 1775/4885

“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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