SCHEMBL14150271

SCHEMBL14150271

Cc1cc2c(cc1-c1cnc(N)nc1)OC(F)(F)O2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.50
ORAI1 Q96D31 6/20 0.50
FEN1 P39748 6/20 0.41
ALOX5AP P20292 4/20 0.41
PIK3CA P42336 1/20 0.37
SCN9A Q15858 1/20 0.37
GPR55 Q9Y2T6 1/20 0.34
ORAI2 Q96SN7 1/20 0.33
GPR3 P46089 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL14150174 0.84 STIM1 (0.50) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL1701937 0.84 STIM1 (0.56) STIM1ORAI1FEN1SCN9AGPR55
SCHEMBL14881412 0.78 STIM1 (0.46) STIM1ORAI1PIK3CASCN9AGPR3
SCHEMBL1702358 0.76 STIM1 (0.55) STIM1ORAI1FEN1ALOX5APORAI2
SCHEMBL14150229 0.72 STIM1 (0.80) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL14225998 0.72 STIM1 (0.64) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL14225999 0.71 STIM1 (0.62) STIM1ORAI1SCN9AORAI2ALDH1A1
SCHEMBL14881322 0.71 STIM1 (0.43) STIM1ORAI1SCN9AGPR3
SCHEMBL8239476 0.71 TSHR (0.39) STIM1ORAI1PIK3CASCN9AGPR3
SCHEMBL16076086 0.70 TSHR (0.42) STIM1ORAI1PIK3CAGPR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106529-B2 Compounds that modulate intracellular calcium CALCIMEDIA, INC. (US) 2018-10-23 US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
WO-2012170931-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 WO disclosed
WO-2012170931-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 WO disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 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 (5 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-10106529-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885FEN1 4618/4885
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885FEN1 4618/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885FEN1 4618/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885FEN1 4618/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885FEN1 4618/4885

“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.