SCHEMBL10201048

SCHEMBL10201048

CCc1cc(-c2cnc(NC(=O)c3ncccc3C)s2)n(CC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.51
ORAI1 Q96D31 4/20 0.51
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
STAT3 P40763 1/20 0.37
KDR P35968 1/20 0.37
KIT P10721 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.37
CDK7 P50613 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL10201038 0.87 STIM1 (0.69) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10201045 0.82 STIM1 (0.51) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10201050 0.81 STIM1 (0.54) STIM1ORAI1ALDH1A1MEN1HPGD
SCHEMBL10201049 0.80 STIM1 (0.76) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL21119877 0.80 STIM1 (0.59) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10257202 0.78 STIM1 (0.45) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10263356 0.75 STIM1 (0.46) STIM1ORAI1RAB9ANPC1KDM4E
SCHEMBL10201061 0.75 STIM1 (0.46) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10201032 0.75 STIM1 (0.67) STIM1ORAI1ALDH1A1RAB9ANPC1
SCHEMBL10201052 0.74 STIM1 (0.52) STIM1ORAI1ALDH1A1RAB9ANPC1

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 7 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
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 1/4885ALDH1A1 4409/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ALDH1A1 4409/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ALDH1A1 4409/4885

“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.