SCHEMBL16466046

SCHEMBL16466046

Cc1nc(-c2cc(-c3cnc(NC(=O)c4c(F)cccc4F)s3)n(C)n2)no1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 10/20 0.65
▸ ORAI1 Q96D31 10/20 0.65
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ IL2 P60568 1/20 0.37

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
SCHEMBL16463729 0.96 STIM1 (0.62) STIM1ORAI1GAAMEN1KMT2A
SCHEMBL16464082 0.92 STIM1 (0.57) STIM1ORAI1
SCHEMBL17052588 0.91 STIM1 (0.55) STIM1ORAI1IL2
SCHEMBL16463875 0.85 STIM1 (0.61) STIM1ORAI1GAAMEN1KMT2A
SCHEMBL10201082 0.83 STIM1 (0.56) STIM1ORAI1GAA
SCHEMBL10201056 0.82 STIM1 (0.82) STIM1ORAI1MEN1KMT2AKDR
SCHEMBL10201057 0.82 STIM1 (0.82) STIM1ORAI1MEN1KMT2AKDR
SCHEMBL12155590 0.81 STIM1 (0.56) STIM1ORAI1MEN1KMT2AIL2
SCHEMBL10201072 0.81 STIM1 (0.60) STIM1ORAI1
SCHEMBL15164978 0.81 STIM1 (0.60) STIM1ORAI1MEN1KMT2AIL2

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 15 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-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
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — 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 1/4885GAA 994/4885
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885

“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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