SCHEMBL10201045

SCHEMBL10201045

CCc1cc(-c2cnc(NC(=O)c3ccc(C)cc3)s2)n(CC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.51
ORAI1 Q96D31 2/20 0.51
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KDR P35968 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SCD O00767 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL21119877 0.91 STIM1 (0.59) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10201036 0.86 STIM1 (0.69) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10201048 0.82 STIM1 (0.51) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10201050 0.81 STIM1 (0.54) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL10201049 0.81 STIM1 (0.76) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10257202 0.78 STIM1 (0.45) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL21120132 0.77 ORAI1 (0.77) STIM1ORAI1RAB9AMEN1KMT2A
SCHEMBL10201029 0.74 STIM1 (0.83) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10201077 0.72 PDE10A (0.51) STIM1ORAI1RAB9ANPC1MEN1
SCHEMBL10201051 0.72 STIM1 (0.65) STIM1ORAI1RAB9ANPC1MEN1

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 1/4885RAB9A 1174/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RAB9A 1174/4885

“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.