SCHEMBL10201054

SCHEMBL10201054

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 1.00
ORAI1 Q96D31 8/20 1.00
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 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
SCHEMBL10201055 0.92 STIM1 (0.86) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201056 0.90 STIM1 (0.82) STIM1ORAI1MEN1KMT2A
SCHEMBL10201058 0.90 STIM1 (1.00) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201066 0.86 STIM1 (0.75) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201067 0.86 STIM1 (0.75) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL10201030 0.84 STIM1 (0.72) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201296 0.83 STIM1 (0.71) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL10201057 0.80 STIM1 (0.82) STIM1ORAI1RAB9AMEN1KMT2A
SCHEMBL10255269 0.79 STIM1 (0.65) STIM1ORAI1NPC1RAB9ARXFP1
SCHEMBL12155573 0.79 STIM1 (0.65) STIM1ORAI1NPC1RAB9ASMN1; SMN2

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 1/4885NPC1 262/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885

“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.