SCHEMBL1701216

SCHEMBL1701216

Cc1cc2scnc2cc1-c1ccc(N(C=O)c2ccccc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.45
ORAI1 Q96D31 3/20 0.45
VRK1 Q99986 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TGFBR1 P36897 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PFKFB3 Q16875 2/20 0.34
HDAC4 P56524 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL1701858 0.89 STIM1 (0.48) STIM1ORAI1VRK1MAPK14NPC1
SCHEMBL1701015 0.88 STIM1 (0.40) STIM1ORAI1VRK1TGFBR1
SCHEMBL1701202 0.85 STIM1 (0.41) STIM1ORAI1VRK1MAPK14NPC1
SCHEMBL1701141 0.78 MAPT (0.37) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL1701452 0.74 STIM1 (0.42) STIM1ORAI1NPC1RAB9AALOX5AP
SCHEMBL12155838 0.72 NPC1 (0.56) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL1701016 0.72 GAA (0.35) STIM1ORAI1MEN1KMT2A
SCHEMBL12155806 0.71 STIM1 (0.68) STIM1ORAI1NPC1RAB9AHDAC4
SCHEMBL17805364 0.71 STIM1 (0.48) STIM1ORAI1VRK1MAPK14NPC1
SCHEMBL1701272 0.69 DYRK1A (0.46) STIM1ORAI1VRK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 US disclosed
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 US disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 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 (7 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885VRK1 1175/4885

“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.