SCHEMBL17833774

SCHEMBL17833774

COc1ncc(-c2ccc3nccc(-c4ccc(CN5CCCC5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 5/20 0.76
PIK3CD O00329 4/20 0.76
PIK3CB P42338 4/20 0.76
PIK3CG P48736 4/20 0.76
PIK3R1 P27986 1/20 0.71
PRKDC P78527 1/20 0.71
PDE4D Q08499 1/20 0.71
RICTOR Q6R327 1/20 0.71
RPTOR Q8N122 1/20 0.71
PIK3C3 Q8NEB9 1/20 0.71
PIP4K2C Q8TBX8 1/20 0.71
MAPKAP1 Q9BPZ7 1/20 0.71
MLST8 Q9BVC4 1/20 0.71
IRAK3 Q9Y616 1/20 0.71

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
SCHEMBL17060427 0.99 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060467 0.94 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17833775 0.94 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060452 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060425 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25495105 0.89 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060462 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060474 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060448 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060456 0.86 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 US disclosed
US-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF GLS2, CYP3A5, HCCS PIK3CA 532/4885MTOR 1636/4885PIK3CD 955/4885

“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.