SCHEMBL16628982

SCHEMBL16628982

C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CG P48736 20/20 1.00
PIK3R2 O00459 16/20 1.00
PIK3R1 P27986 3/20 0.82
PIK3CA P42336 1/20 0.70
PIK3CB P42338 1/20 0.70

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
SCHEMBL16629000 0.94 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16629001 0.91 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL23678048 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL15307164 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL15306895 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16628946 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16629005 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL15306899 0.89 PIK3CG (0.88) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16629019 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2PIK3R1
SCHEMBL16628939 0.88 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA

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
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 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 (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-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3R2 35/4885

“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.