SCHEMBL10201059

SCHEMBL10201059

Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.79
ORAI1 Q96D31 6/20 0.79
PDE10A Q9Y233 1/20 0.51
GRM5 P41594 1/20 0.50
KDR P35968 1/20 0.47
SMO Q99835 3/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL10201058 0.88 STIM1 (1.00) STIM1ORAI1GRM5KDRALDH1A1
SCHEMBL10201055 0.87 STIM1 (0.86) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201065 0.86 STIM1 (0.59) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201071 0.86 STIM1 (0.59) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201082 0.84 STIM1 (0.56) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10263079 0.83 STIM1 (0.57) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201033 0.83 STIM1 (0.78) STIM1ORAI1PDE10AALDH1A1CYP2D6
SCHEMBL10201043 0.83 STIM1 (0.57) STIM1ORAI1PDE10AKDRALDH1A1
SCHEMBL10201057 0.82 STIM1 (0.82) STIM1ORAI1KDRALDH1A1MKNK1
SCHEMBL12156004 0.80 SMN1; SMN2 (0.52) STIM1ORAI1GRM5SMOALDH1A1

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.