SCHEMBL10201063

SCHEMBL10201063

[C-]#[N+]c1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(C)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 7/20 0.56
▸ ORAI1 Q96D31 7/20 0.56
▸ GAA P10253 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LIMK1 P53667 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL10201031 0.83 STIM1 (0.69) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL10201287 0.83 STIM1 (0.43) STIM1ORAI1GAAMEN1KMT2A
SCHEMBL10201056 0.82 STIM1 (0.82) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201057 0.82 STIM1 (0.82) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10256710 0.82 STIM1 (0.56) STIM1ORAI1GAAKDRMEN1
SCHEMBL10201043 0.81 STIM1 (0.57) STIM1ORAI1GAAKDRLIMK1
SCHEMBL10201061 0.81 STIM1 (0.46) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201072 0.79 STIM1 (0.60) STIM1ORAI1
SCHEMBL10201073 0.79 STIM1 (0.60) STIM1ORAI1GAAABL1
SCHEMBL17052585 0.78 STIM1 (0.61) STIM1ORAI1

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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885

“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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