SCHEMBL12241683

SCHEMBL12241683

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 14/20 0.58
▸ STIM1 Q13586 3/20 0.54
▸ ORAI1 Q96D31 3/20 0.54
▸ ORAI2 Q96SN7 1/20 0.54
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ GFER P55789 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
SCHEMBL12156050 0.88 SMN1; SMN2 (0.52) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL12156313 0.88 IL2 (0.60) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL12155979 0.88 IL2 (0.53) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL17244772 0.87 STIM1 (0.59) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL1701939 0.87 IL2 (0.58) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL12241684 0.86 STIM1 (0.66) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL12155960 0.85 IL2 (0.48) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL12241727 0.85 IL2 (0.54) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12155683 0.85 IL2 (0.56) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL16572609 0.83 NPC1 (0.49) IL2STIM1ORAI1ORAI2NPC1

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 10 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-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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