SCHEMBL17833786

SCHEMBL17833786

CN(CCO)Cc1ccc(-c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 4/20 0.81
PIK3CD O00329 2/20 0.81
PIK3CB P42338 2/20 0.81
PIK3CG P48736 2/20 0.81

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
SCHEMBL17833781 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17833785 0.91 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060469 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL731496 0.84 PIK3CA (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17833776 0.84 PIK3CA (0.89) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060445 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL730061 0.82 PIK3CA (0.77) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060456 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060443 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17833784 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103788071-A N-(5-(quinolyl-6-yl) pyridyl-3-yl)benzsulfamide derivatives, and preparation method and treatment use thereof UNIV PLA 2ND MILITARY MEDICAL 2014-05-14 CN claimed
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.