SCHEMBL3085452

SCHEMBL3085452

COc1cccc(Nc2cnc3ccc(-c4cccnc4)cc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.59
PDGFRA P16234 4/20 0.59
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
ABCG2 Q9UNQ0 6/20 0.53
ABCB1 P08183 2/20 0.53
CYP11B2 P19099 3/20 0.52
CYP17A1 P05093 2/20 0.52
CYP11B1 P15538 2/20 0.52
CYP19A1 P11511 1/20 0.52
EGFR P00533 1/20 0.51
IGF1R P08069 1/20 0.50
PIK3CA P42336 2/20 0.48
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ABCC1 P33527 1/20 0.47
ROCK1 Q13464 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL14905514 0.82 FGFR3 (0.52) PDGFRBPDGFRAMEN1NPC1RAB9A
SCHEMBL3084895 0.78 PDGFRB (0.53) PDGFRBPDGFRAMEN1KMT2ACYP11B2
SCHEMBL3095616 0.75 PIK3CD (0.59) PDGFRBPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL14475830 0.74 ABCG2 (0.83) MEN1KMT2AABCG2ABCB1PIK3CA
SCHEMBL792083 0.74 CYP11B2 (0.73) MEN1NPC1RAB9ACYP11B2CYP17A1
SCHEMBL29566706 0.74 CYP11B2 (0.73) MEN1NPC1RAB9ACYP11B2CYP17A1
SCHEMBL3906854 0.74 PDGFRB (0.61) PDGFRBPDGFRAMEN1NPC1RAB9A
SCHEMBL7474612 0.74 PIK3CG (0.76) PDGFRBPDGFRAMEN1NPC1RAB9A
SCHEMBL16421990 0.73 FGFR3 (0.65) PDGFRBPDGFRAMEN1NPC1RAB9A
SCHEMBL14906698 0.72 PDGFRB (0.57) PDGFRBPDGFRAMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (2 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PDGFRB 85/4885PDGFRA 159/4885MEN1 1927/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PDGFRB 85/4885PDGFRA 159/4885MEN1 1927/4885

“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.