SCHEMBL12156206

SCHEMBL12156206

O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.54
▸ ORAI1 Q96D31 4/20 0.54
▸ ORAI2 Q96SN7 1/20 0.54
▸ IL2 P60568 9/20 0.49
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ DYRK3 O43781 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ NTRK1 P04629 1/20 0.38

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
SCHEMBL12156207 0.88 SMN1; SMN2 (0.52) STIM1ORAI1ORAI2KMT2ANPC1
SCHEMBL1702038 0.87 SMN1; SMN2 (0.52) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155931 0.87 NPC1 (0.52) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL1701649 0.87 STIM1 (0.67) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL1701956 0.87 STIM1 (0.66) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155555 0.86 STIM1 (0.68) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156361 0.85 STIM1 (0.52) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155602 0.83 IL2 (0.48) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12241658 0.82 IL2 (0.47) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156230 0.82 IL2 (0.47) STIM1ORAI1ORAI2IL2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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