SCHEMBL12155597

SCHEMBL12155597

Cn1nc(-c2cccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 9/20 0.49
▸ STIM1 Q13586 7/20 0.44
▸ ORAI1 Q96D31 7/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL12155566 0.88 IL2 (0.45) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL12156199 0.86 STIM1 (0.54) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12155595 0.84 IL2 (0.54) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12181750 0.81 IL2 (0.49) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL12155569 0.81 IL2 (0.51) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12155571 0.77 STIM1 (0.55) STIM1ORAI1MEN1KMT2ANPC1
SCHEMBL12155572 0.74 STIM1 (0.54) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL12156187 0.73 IL2 (0.49) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL10201140 0.73 STIM1 (0.67) IL2STIM1ORAI1RAB9A
SCHEMBL12156018 0.72 STIM1 (0.53) IL2STIM1ORAI1MEN1KMT2A

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 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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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