SCHEMBL22342949

SCHEMBL22342949

Cc1cc(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.78
▸ ORAI1 Q96D31 5/20 0.78
▸ ORAI2 Q96SN7 1/20 0.78
▸ IL2 P60568 13/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
Zegocractin SCHEMBL29391484 0.88 STIM1 (1.00) STIM1ORAI1ORAI2IL2
Zegocractin SCHEMBL18038390 0.88 STIM1 (1.00) STIM1ORAI1ORAI2IL2
Zegocractin SCHEMBL29362538 0.88 STIM1 (1.00) STIM1ORAI1ORAI2IL2
SCHEMBL12241468 0.86 STIM1 (0.80) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16572605 0.85 STIM1 (0.72) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL1702004 0.84 STIM1 (0.87) STIM1ORAI1ORAI2IL2
SCHEMBL16018198 0.83 STIM1 (0.70) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155790 0.83 STIM1 (0.76) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14881300 0.82 STIM1 (0.68) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155799 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013737-B2 Pyrazine-containing compound CALCIMEDIA, INC. (US) 2021-05-25 — — US disclosed
US-10973818-B2 — — 2021-04-13 — — US disclosed
US-20200253966-A1 CRAC CHANNEL INHIBITOR COMPOSITIONS CALCIMEDICA, INC. 2020-08-13 — — 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 (3 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-20200253966-A1 CRAC CHANNEL INHIBITOR COMPOSITIONS CACNA1C, CACNA1E, IAPP STIM1 66/4885ORAI1 5/4885ORAI2 21/4885
US-11013737-B2 Pyrazine-containing compound NFATC1, IAPP, NLRP3 STIM1 211/4885ORAI1 5/4885ORAI2 260/4885
US-10973818-B2 — IAPP, NFATC1, PLA2R1 STIM1 183/4885ORAI1 18/4885ORAI2 514/4885

“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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