SCHEMBL10201082

SCHEMBL10201082

Cc1nc(-c2cc(-c3cnc(NC(=O)c4ccccc4Cl)s3)n(C)n2)no1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.56
ORAI1 Q96D31 6/20 0.56
PDE10A Q9Y233 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
GAA P10253 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
DYRK1A Q13627 1/20 0.39
ADORA2A P29274 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
SCHEMBL10201059 0.84 STIM1 (0.79) STIM1ORAI1PDE10ASMN1; SMN2CYP2C19
SCHEMBL16466046 0.83 STIM1 (0.65) STIM1ORAI1GAA
SCHEMBL12155645 0.82 DYRK1A (0.49) STIM1ORAI1SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10201065 0.81 STIM1 (0.59) STIM1ORAI1PDE10ASMN1; SMN2CYP2C19
SCHEMBL16463729 0.81 STIM1 (0.62) STIM1ORAI1HPGDGAA
SCHEMBL12181646 0.81 STIM1 (0.49) STIM1ORAI1SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL16464082 0.81 STIM1 (0.57) STIM1ORAI1NPC1RAB9AADORA2A
SCHEMBL10201055 0.80 STIM1 (0.86) STIM1ORAI1PDE10ASMN1; SMN2CYP2C19
SCHEMBL10201071 0.80 STIM1 (0.59) STIM1ORAI1PDE10ASMN1; SMN2CYP2C19
SCHEMBL17052588 0.80 STIM1 (0.55) STIM1ORAI1NPC1RAB9AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 CN disclosed
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
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
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.