SCHEMBL16572570

SCHEMBL16572570

O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1c(F)cncc1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.54
▸ ORAI1 Q96D31 1/20 0.54
▸ ORAI2 Q96SN7 1/20 0.54
▸ IL2 P60568 15/20 0.44
▸ BRD4 O60885 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL12241379 0.91 STIM1 (0.66) STIM1ORAI1ORAI2IL2
SCHEMBL16572568 0.89 IL2 (0.52) STIM1ORAI1ORAI2IL2ABL1
SCHEMBL12156316 0.87 STIM1 (0.49) STIM1ORAI1ORAI2IL2BRD4
SCHEMBL16572569 0.86 STIM1 (0.42) STIM1ORAI1ORAI2IL2BRD4
SCHEMBL16572605 0.85 STIM1 (0.72) STIM1ORAI1ORAI2IL2BRD4
SCHEMBL12155664 0.83 STIM1 (0.56) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12241382 0.83 STIM1 (0.50) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155943 0.80 STIM1 (0.58) STIM1ORAI1ORAI2IL2
SCHEMBL12241381 0.79 STIM1 (0.50) STIM1ORAI1ORAI2IL2BRD4
SCHEMBL17805327 0.78 STIM1 (0.46) STIM1ORAI1ORAI2IL2NPC1

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 6 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

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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