SCHEMBL7326656

SCHEMBL7326656

Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPC3 Q13507 3/20 0.44
ORAI1 Q96D31 4/20 0.43
STIM1 Q13586 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPC1 P48995 1/20 0.43
TP53 P04637 2/20 0.40
TRPC5 Q9UL62 1/20 0.40
PTGS2 P35354 7/20 0.39
PTGS1 P23219 5/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL14226059 0.84 STIM1 (0.54) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL3277337 0.81 PTGS2 (0.55) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL14240343 0.78 TRPC3 (0.44) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL4252779 0.78 PKM (0.36) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL7316435 0.76 TRPC3 (0.46) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL4253189 0.75 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL4247381 0.75 EPHX2 (0.62) TP53PTGS2
SCHEMBL1834334 0.75 KDM4E (0.51) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL15420349 0.74 ORAI1 (0.53) KDM4EL3MBTL1TRPC3ORAI1STIM1
SCHEMBL14198876 0.74 TRPC3 (0.69) TRPC3ORAI1MAPTTP53TRPC5

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
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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885L3MBTL1 3943/4885TRPC3 39/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885L3MBTL1 3943/4885TRPC3 39/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885L3MBTL1 3943/4885TRPC3 39/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885L3MBTL1 3943/4885TRPC3 39/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 KDM4E 2261/4885L3MBTL1 4792/4885TRPC3 4362/4885

“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.