SCHEMBL14840962

SCHEMBL14840962

COc1cc(C)c(-c2ccc3c(c2)OCC(c2ccccc2Cl)N3)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
ORAI1 Q96D31 2/20 0.39
FFAR2 O15552 2/20 0.36
KLKB1 P03952 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
DGAT1 O75907 2/20 0.32
SCN9A Q15858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2B Q13224 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL14840428 0.85 ORAI1 (0.49) ABL1ORAI1BACE1MAPTL3MBTL1
SCHEMBL14840277 0.82 ORAI1 (0.44) ABL1ORAI1KLKB1BACE1BRD4
SCHEMBL14840615 0.72 ABL1 (0.37) ABL1ORAI1
SCHEMBL16475232 0.70 CYP11B1 (0.51) ABL1MAPT
SCHEMBL14840478 0.70 MAPT (0.37) MAPTGAA
SCHEMBL14840549 0.69 KDM4E (0.37) MAPT
SCHEMBL14840436 0.68 NR3C2 (0.42) ORAI1MAPT
SCHEMBL14840886 0.67 FEN1 (0.35) ORAI1BACE1
SCHEMBL14840964 0.66 CYP1A1 (0.33) MAPT
SCHEMBL14841020 0.66 LPL (0.35) MAPTEGFR

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 6 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
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 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 (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 ABL1 3688/4885ORAI1 4/4885FFAR2 359/4885

“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.