SCHEMBL3133492

SCHEMBL3133492

CC(=O)Nc1cn2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
PIK3CG P48736 3/20 0.47
TGFBR1 P36897 2/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK13 O15264 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL26907652 0.90 MAP3K5 (0.42) PIK3CAPIK3CGTGFBR1KDM4ENPC1
SCHEMBL17065966 0.86 LRRK2 (0.49) KDR
SCHEMBL24286056 0.86 F2 (0.42) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL29770756 0.84 AAK1 (0.42) PIK3CAPIK3CGMAP3K5
SCHEMBL13784013 0.84 PIK3CA (0.43) PIK3CAPIK3CGTGFBR1PIK3CDPIK3CB
SCHEMBL31204283 0.84 OTUD7B (0.42) PIK3CAPIK3CGMAP3K5
SCHEMBL22363009 0.82 LRRK2 (0.57)
SCHEMBL31204322 0.81 OTUD7B (0.40) PIK3CAPIK3CGMAP3K5
SCHEMBL1734165 0.78 PTGS1 (0.46) KDM4EPOLB
SCHEMBL2926375 0.77 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDPIK3CBKDR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487498-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ZHANG XIAOHU (CN) 2023-09-06 EP disclosed
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 US disclosed
WO-2018017435-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE INC. (KY) 2018-01-25 WO disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
EP-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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 (4 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CG 4/4885TGFBR1 1388/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF PIK3CA 553/4885PIK3CG 1116/4885TGFBR1 2893/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF PIK3CA 553/4885PIK3CG 1116/4885TGFBR1 2893/4885
US-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885PIK3CG 3/4885TGFBR1 1556/4885

“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.