SCHEMBL1621167

SCHEMBL1621167

Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 1.00
MTOR P42345 11/20 1.00
AKT1 P31749 7/20 1.00
PIK3CD O00329 2/20 0.71
PIK3CB P42338 1/20 0.71
PIK3CG P48736 1/20 0.71
PRKDC P78527 1/20 0.71
PIK3C3 Q8NEB9 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
SCHEMBL1621105 0.89 PIK3CA (0.79) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1620258 0.89 PIK3CA (0.79) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1622169 0.87 PIK3CA (0.82) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1621916 0.87 AKT1 (0.77) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1621813 0.87 AKT1 (0.77) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1619972 0.86 AKT1 (0.75) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL3638738 0.85 AKT1 (0.73) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1621723 0.84 AKT1 (0.72) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1621328 0.83 AKT1 (1.00) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1621416 0.83 AKT1 (0.71) PIK3CAMTORAKT1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP claimed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP claimed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US claimed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO claimed
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B PIK3CA 1/4885MTOR 37/4885AKT1 20/4885

“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.