SCHEMBL7899110

SCHEMBL7899110

Cc1ncc(-c2ccc(N)cc2CO)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
PIK3CG P48736 11/20 0.39
PIK3CD O00329 10/20 0.39
PIK3C3 Q8NEB9 10/20 0.39
PIK3CB P42338 9/20 0.39
MTOR P42345 4/20 0.38
AOC3 Q16853 2/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
PIK3CA P42336 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.34
NR1I2 O75469 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL7894269 0.77 ALDH1A1 (0.42) NPSR1PIK3CGPIK3CDPIK3C3PIK3CB
SCHEMBL1616237 0.75 IMPDH2 (0.48) NPSR1PIK3CGPIK3CDPIK3C3PIK3CB
SCHEMBL2625715 0.71 LRRK2 (0.45) PIK3CGPIK3CDPIK3C3PIK3CBMTOR
SCHEMBL19730877 0.69 APP (0.50) PIK3CGPIK3CDPIK3C3PIK3CBAOC3
SCHEMBL3781954 0.68 CYP3A4 (0.42)
SCHEMBL2625713 0.68 IMPDH2 (0.36)
SCHEMBL12947929 0.67 MAP4K4 (0.50) AOC3SMN1; SMN2ADORA2A
SCHEMBL12947909 0.66 ALDH1A1 (0.43) NPSR1PIK3CGPIK3CDPIK3C3PIK3CB
SCHEMBL2409689 0.66 MAPT (0.46) NPSR1PIK3CGPIK3CDPIK3C3PIK3CB
SCHEMBL792457 0.66 ALDH1A1 (0.52) SMN1; SMN2

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-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A NPSR1 670/4885PIK3CG 900/4885PIK3CD 792/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A NPSR1 670/4885PIK3CG 900/4885PIK3CD 792/4885

“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.