SCHEMBL14887550

SCHEMBL14887550

Cc1cc2c(cc1-c1ccc(NCc3c(F)cncc3F)cc1F)OC(F)(F)O2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 8/20 0.54
▸ ORAI1 Q96D31 8/20 0.54
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ORAI2 Q96SN7 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC5 Q9UQL6 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
SCHEMBL14881298 0.89 STIM1 (0.62) STIM1ORAI1ADORA3ADORA2AADORA2B
SCHEMBL14887559 0.88 STIM1 (0.64) STIM1ORAI1ADORA3ADORA2AADORA2B
SCHEMBL14881286 0.84 STIM1 (0.57) STIM1ORAI1ADORA3ADORA2AADORA2B
SCHEMBL14881329 0.81 STIM1 (0.47) STIM1ORAI1MEN1MAPTKMT2A
SCHEMBL14239239 0.80 STIM1 (0.55) STIM1ORAI1ORAI2SCN9APDE2A
SCHEMBL14239028 0.79 STIM1 (0.54) STIM1ORAI1ORAI2SCN9APDE2A
SCHEMBL14887340 0.78 STIM1 (0.45) STIM1ORAI1ORAI2SCN9A
SCHEMBL14150243 0.76 STIM1 (0.66) STIM1ORAI1ORAI2
SCHEMBL14882374 0.76 STIM1 (0.72) STIM1ORAI1MEN1MAPTKMT2A
SCHEMBL14240001 0.74 STIM1 (0.66) STIM1ORAI1MEN1MAPTKMT2A

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA3 2617/4885

“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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