SCHEMBL2947671

SCHEMBL2947671

CC(=O)Nc1cn2cc(Br)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.64
PIK3CA P42336 10/20 0.52
PIK3CG P48736 3/20 0.52
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
TGFBR1 P36897 2/20 0.47
MAPK13 O15264 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL14247285 0.86 MAP3K5 (0.61) MAP3K5PIK3CGMAPK13BRAFKDR
SCHEMBL8337829 0.84 MAP3K5 (0.62) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3150092 0.81 PIK3CA (0.52) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13784012 0.81 PIK3CA (0.52) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1302968 0.81 MAP3K5 (0.60) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL17065938 0.81 MAP3K5 (0.56) MAP3K5PIK3CGKDRHPGD
SCHEMBL17065991 0.81 MAP3K5 (0.56) MAP3K5PIK3CAPIK3CGKDM4ENPC1
SCHEMBL31286840 0.81 MAP3K5 (0.56) MAP3K5PIK3CGKDM4ENPC1ALDH1A1
SCHEMBL17065980 0.80 MAP3K5 (0.56) MAP3K5PIK3CAPIK3CGKDM4ENPC1
SCHEMBL14318039 0.80 MAP3K5 (0.62) MAP3K5PIK3CGNPC1RAB9ASMN1; SMN2

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 26 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
EP-3487498-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ZHANG XIAOHU (CN) 2023-09-06 EP disclosed
US-11744824-B2 2-amino-3-carbonyl imidazopyridine and pyrazolopyridine compounds 1ST Biotherapeutics, Inc. (KR) 2023-09-05 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-9981944-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC (US) 2018-05-29 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-9598424-B2 Heteroarylamide inhibitors of TBK1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 US disclosed
US-20170015669-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TAKEDA CALIFORNIA, INC. 2017-01-19 US disclosed
US-20160264553-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2016-09-15 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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160264553-A1 GDF-8 Inhibitors CXCL8, MSTN, LGALS8 MAP3K5 1471/4885PIK3CA 4581/4885PIK3CG 4506/4885
US-11744824-B2 2-amino-3-carbonyl imidazopyridine and pyrazolopyridine compounds NLRP3, NLRP1, KCNJ2 MAP3K5 173/4885PIK3CA 1773/4885PIK3CG 1278/4885
US-20170015669-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TBK1, TBKBP1, TNKS1BP1 MAP3K5 83/4885PIK3CA 674/4885PIK3CG 552/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF MAP3K5 2310/4885PIK3CA 553/4885PIK3CG 1116/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF MAP3K5 2310/4885PIK3CA 553/4885PIK3CG 1116/4885
US-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG MAP3K5 41/4885PIK3CA 1/4885PIK3CG 3/4885

“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.