SCHEMBL10201055

SCHEMBL10201055

Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.86
▸ ORAI1 Q96D31 6/20 0.86
▸ PDE10A Q9Y233 1/20 0.48
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LIMK1 P53667 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LIMK2 P53671 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL10201054 0.92 STIM1 (1.00) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201056 0.87 STIM1 (0.82) STIM1ORAI1MEN1KMT2A
SCHEMBL10201059 0.87 STIM1 (0.79) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201301 0.84 STIM1 (0.61) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201058 0.83 STIM1 (1.00) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201065 0.83 STIM1 (0.59) STIM1ORAI1PDE10ANPC1RAB9A
SCHEMBL10201071 0.83 STIM1 (0.59) STIM1ORAI1PDE10AMEN1KMT2A
SCHEMBL10201033 0.82 STIM1 (0.78) STIM1ORAI1PDE10ANPC1RAB9A
SCHEMBL10201082 0.80 STIM1 (0.56) STIM1ORAI1PDE10ANPC1RAB9A
SCHEMBL12155543 0.80 STIM1 (0.56) STIM1ORAI1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 — — US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
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-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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 — — WO 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 (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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885PDE10A 496/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885PDE10A 496/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885PDE10A 496/4885

“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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