SCHEMBL14150243

SCHEMBL14150243

Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)cn1)OC(F)(F)O2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.66
ORAI1 Q96D31 8/20 0.66
ORAI2 Q96SN7 1/20 0.43
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ROCK1 Q13464 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL14882374 0.83 STIM1 (0.72) STIM1ORAI1ORAI2NTRK1IL2
SCHEMBL14881298 0.82 STIM1 (0.62) STIM1ORAI1ORAI2NTRK1CCNT1
SCHEMBL14150229 0.81 STIM1 (0.80) STIM1ORAI1ORAI2
SCHEMBL14150166 0.81 STIM1 (0.69) STIM1ORAI1ORAI2CCNT1CDK9
SCHEMBL14150223 0.80 STIM1 (1.00) STIM1ORAI1ORAI2IL2
SCHEMBL14150380 0.79 STIM1 (0.59) STIM1ORAI1ORAI2IL2
SCHEMBL14240001 0.79 STIM1 (0.66) STIM1ORAI1ORAI2MAPK14
SCHEMBL17746839 0.79 STIM1 (0.42) STIM1ORAI1
SCHEMBL14881286 0.78 STIM1 (0.57) STIM1ORAI1ORAI2NTRK1FFAR1
SCHEMBL14887559 0.77 STIM1 (0.64) STIM1ORAI1ORAI2

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 14 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
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 1/4885ORAI2 19/4885
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.