SCHEMBL23175657

SCHEMBL23175657

Cc1cccc(F)c1C(=O)Nc1cnc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.54
ORAI1 Q96D31 1/20 0.54
ORAI2 Q96SN7 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IL2 P60568 7/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL29780014 1.00 STIM1 (0.54) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL1701211 0.90 MEN1 (0.59) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL16320788 0.84 L3MBTL1 (0.55) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL15216422 0.80 NPC1 (0.57) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL11911928 0.79 MEN1 (0.59) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL14893401 0.78 SMN1; SMN2 (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL29216896 0.78 STIM1 (0.69) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL15206208 0.78 NPC1 (0.70) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL15205269 0.78 NPC1 (0.62) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL16381659 0.77 KMT2A (0.54) STIM1ORAI1ORAI2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522589-B2 Synthesis of CRAC channel inhibitors CALCIMEDICA, INC. (US) 2026-01-13 US disclosed
US-20240010638-A1 IMPROVED SYNTHESIS OF CRAC CHANNEL INHIBITORS AVENUE CAPITAL MANAGEMENT II, L.P. 2024-01-11 US disclosed
CN-116847837-A Improved synthesis of CRAC channel inhibitors 钙医学公司 2023-10-03 CN disclosed
WO-2022101654-A1 IMPROVED SYNTHESIS OF CRAC CHANNEL INHIBITORS CALCIMEDICA, INC. (US) 2022-05-19 WO disclosed
WO-2021057890-A1 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS 南京明德新药研发有限公司 2021-04-01 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 (1 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-20240010638-A1 IMPROVED SYNTHESIS OF CRAC CHANNEL INHIBITORS CACNA1E, CACNA1C, ORAI1 STIM1 52/4885ORAI1 3/4885ORAI2 11/4885

“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.