SCHEMBL12156253

SCHEMBL12156253

N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cncc3F)nc1)OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.43
▸ ORAI1 Q96D31 4/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ ABL1 P00519 3/20 0.40
▸ IL2 P60568 2/20 0.40
▸ WNT3A P56704 3/20 0.39
▸ DEGS1 O15121 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TMPRSS4 Q9NRS4 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
SCHEMBL12156361 0.92 STIM1 (0.52) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL12155461 0.85 STIM1 (0.58) STIM1ORAI1ORAI2IL2DEGS1
SCHEMBL12155794 0.85 STIM1 (0.58) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL12156258 0.82 STIM1 (0.43) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL12156364 0.79 STIM1 (0.65) STIM1ORAI1ORAI2IL2
SCHEMBL1701956 0.76 STIM1 (0.66) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL12156206 0.76 STIM1 (0.54) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL1701649 0.76 STIM1 (0.67) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL16572602 0.74 STIM1 (0.46) STIM1ORAI1ORAI2ABL1IL2
SCHEMBL16572608 0.74 STIM1 (0.46) STIM1ORAI1ORAI2ABL1IL2

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 7 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-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
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20200317617-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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