SCHEMBL14226013

SCHEMBL14226013

Cc1cc2c(cc1-c1ccc(NCc3ccccc3Cl)nc1)OC(F)(F)O2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 8/20 0.68
▸ ORAI1 Q96D31 8/20 0.68
▸ ORAI2 Q96SN7 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR39 O43194 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL14226012 0.91 STIM1 (0.73) STIM1ORAI1ORAI2MAPTGAA
SCHEMBL14150207 0.90 STIM1 (0.72) STIM1ORAI1ORAI2CNR2MAPT
SCHEMBL14226014 0.88 STIM1 (0.79) STIM1ORAI1ORAI2GPR55
SCHEMBL14226015 0.85 STIM1 (0.86) STIM1ORAI1ORAI2CNR2ALDH1A1
SCHEMBL14225949 0.84 STIM1 (0.56) STIM1ORAI1CNR2MAPTALDH1A1
SCHEMBL14225976 0.82 STIM1 (0.46) STIM1ORAI1CNR2MAPTALDH1A1
SCHEMBL14150223 0.81 STIM1 (1.00) STIM1ORAI1ORAI2GPR55
SCHEMBL14226011 0.81 STIM1 (0.64) STIM1ORAI1ALDH1A1GAAKDM4E
SCHEMBL16169865 0.80 STIM1 (0.48) STIM1ORAI1CNR2MAPTALDH1A1
SCHEMBL18159228 0.80 STIM1 (0.79) STIM1ORAI1ORAI2CNR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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.

Send feedback