SCHEMBL16636756

SCHEMBL16636756

Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)ccc(F)c2F)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.44
ORAI1 Q96D31 4/20 0.44
ABL1 P00519 2/20 0.36
ADORA2A P29274 1/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16636680 0.83 IL2 (0.39) STIM1ORAI1MEN1KMT2A
SCHEMBL16636510 0.83 IL2 (0.37) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL16636766 0.82 STIM1 (0.40) STIM1ORAI1
SCHEMBL16636671 0.81 MEN1 (0.37) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL16636656 0.78 IL2 (0.49) STIM1ORAI1MEN1KMT2AMAPT
SCHEMBL16636678 0.77 IL2 (0.42) STIM1ORAI1NPC1RAB9A
SCHEMBL16636740 0.77 NPC1 (0.36) ADORA2AMEN1KMT2AMAPTHPGD
SCHEMBL16636934 0.76 IL2 (0.47) STIM1ORAI1MEN1KMT2AGAA
SCHEMBL16636744 0.74 IL2 (0.48) STIM1ORAI1MEN1KMT2AMAPT
SCHEMBL16636428 0.74 IL2 (0.45) STIM1ORAI1MEN1KMT2AMAPT

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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO 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 (1 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ABL1 4066/4885

“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.