SCHEMBL1621844

SCHEMBL1621844

COc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1Br

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.79
PIK3CA P42336 7/20 0.77
CYP3A4 P08684 4/20 0.63
NPC1 O15118 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
RAB9A P51151 2/20 0.58
DYRK1A Q13627 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2C9 P11712 1/20 0.57
AKT1 P31749 2/20 0.57
MTOR P42345 2/20 0.57

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
SCHEMBL3141105 0.87 PIK3CG (1.00) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL1621112 0.87 PIK3CG (0.79) PIK3CGPIK3CACYP3A4AKT1MTOR
SCHEMBL13188180 0.83 PIK3CG (0.72) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL1621705 0.82 PIK3CG (1.00) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL1621640 0.80 PIK3CG (0.74) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL1620033 0.80 PIK3CG (0.68) PIK3CGPIK3CACYP3A4AKT1MTOR
SCHEMBL1619561 0.79 PIK3CG (0.69) PIK3CGPIK3CACYP3A4AKT1
SCHEMBL1621626 0.79 PIK3CG (0.76) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL13188283 0.79 PIK3CG (1.00) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL3142719 0.78 PIK3CA (1.00) PIK3CGPIK3CACYP3A4DYRK1A

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 11 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
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US 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 PIK3CG 5/4885PIK3CA 1/4885CYP3A4 3069/4885

“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.