SCHEMBL12241466

SCHEMBL12241466

Cc1cccc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1C

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.75
▸ ORAI1 Q96D31 5/20 0.75
▸ ORAI2 Q96SN7 1/20 0.75
▸ IL2 P60568 10/20 0.45
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL12155798 0.92 STIM1 (0.75) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12156023 0.91 STIM1 (0.77) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12241462 0.91 STIM1 (0.77) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL1702092 0.87 STIM1 (0.67) STIM1ORAI1ORAI2IL2NPC1
Zegocractin SCHEMBL18038390 0.86 STIM1 (1.00) STIM1ORAI1ORAI2IL2
Zegocractin SCHEMBL29362538 0.86 STIM1 (1.00) STIM1ORAI1ORAI2IL2
Zegocractin SCHEMBL29391484 0.86 STIM1 (1.00) STIM1ORAI1ORAI2IL2
SCHEMBL12155807 0.85 STIM1 (0.73) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL1702130 0.85 STIM1 (0.73) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155799 0.85 STIM1 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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.

Send feedback