SCHEMBL17362187

SCHEMBL17362187

Cn1ccc2cc(-c3cccc(-c4ccccc4)c3F)cnc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.47
▸ HSD11B1 P28845 2/20 0.40
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GRIN1 Q05586 8/20 0.37
▸ GRIN2B Q13224 8/20 0.37
▸ GLO1 Q04760 3/20 0.36
▸ ATR Q13535 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ PIK3CD O00329 1/20 0.35

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
SCHEMBL17362391 0.83 GRIN2B (0.35) APPGRIN1GRIN2BGLO1
SCHEMBL14467094 0.82 APP (0.49) APPHSD11B1PIK3CAMTORGLO1
SCHEMBL15916486 0.82 GLO1 (0.45) GRIN1GRIN2BGLO1
SCHEMBL17362285 0.79 ALOX5AP (0.41) APPHSD11B1
SCHEMBL24720893 0.74 APP (0.42) APPPIK3CAMTORGRIN1GRIN2B
SCHEMBL13005158 0.74 ALOX5AP (0.48) APPPIK3CAMTORATR
SCHEMBL17362343 0.70 HCAR1 (0.39) GRIN1GRIN2B
SCHEMBL24719738 0.69 TOP2A (0.42) APPPIK3CAMTOR
SCHEMBL22781685 0.69 APP (0.48) APPPIK3CAMTORGRIN1GRIN2B
SCHEMBL17362135 0.68 GRIN2B (0.44) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 — — US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R APP 4656/4885HSD11B1 173/4885PIK3CA 203/4885

“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.

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