SCHEMBL14840436

SCHEMBL14840436

Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(c1ccccc1Cl)N2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.42
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
IDH1 O75874 1/20 0.37
NR3C1 P04150 2/20 0.36
PGR P06401 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXRA P19793 3/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
MAPT P10636 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
SCHEMBL14840610 0.83 STIM1 (0.43) NR3C2PRMT5WDR77IDH1NR3C1
SCHEMBL14840967 0.71 NR3C2 (0.38) NR3C2NR3C1PGRSTIM1ORAI1
SCHEMBL14840478 0.70 MAPT (0.37) MAPT
SCHEMBL14840962 0.68 ABL1 (0.40) ORAI1MAPT
SCHEMBL12826349 0.67 STIM1 (0.45) NR3C2PRMT5WDR77IDH1PTGS2
SCHEMBL14622588 0.66 PTGS2 (0.54) PTGS2ALOX5PTGS1NPC1RAB9A
SCHEMBL14841020 0.66 LPL (0.35) PRMT5WDR77MAPT
SCHEMBL17437283 0.65 PTGS2 (0.65) PRMT5WDR77PTGS2ALOX5PTGS1
SCHEMBL14840549 0.65 KDM4E (0.37) NPC1RAB9AMAPT
SCHEMBL4287031 0.64 NR3C2 (0.71) NR3C2NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO 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 (1 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 NR3C2 1678/4885PRMT5 1939/4885WDR77 4547/4885

“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.