SCHEMBL1255178

SCHEMBL1255178

O=C1CNc2ncc(Br)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.40
GSK3B P49841 4/20 0.40
CDK5 Q00535 4/20 0.40
ABL1 P00519 3/20 0.40
PIM1 P11309 3/20 0.40
DYRK1A Q13627 3/20 0.40
AURKA O14965 2/20 0.40
DAPK3 O43293 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
NTRK1 P04629 2/20 0.40
RET P07949 2/20 0.40
MET P08581 2/20 0.40
PDGFRB P09619 2/20 0.40
FGFR1 P11362 2/20 0.40
PDGFRA P16234 2/20 0.40
FLT1 P17948 2/20 0.40
LTK P29376 2/20 0.40
GRK5 P34947 2/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL31033281 0.86 CYP11B1 (0.38) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL12062642 0.86 CYP11B1 (0.38) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL1601643 0.81 CYP11B1 (0.37) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL14387097 0.81 CYP11B1 (0.37) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL16564067 0.81 CYP11B1 (0.37) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL16563482 0.81 AHR (0.39) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL16564128 0.80 CYP11B1 (0.35) CYP11B1CYP11B2MBXIAPBIRC2
Hydrochloric Acid SCHEMBL16563544 0.79 CYP11B1 (0.36) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL1253776 0.77 MB (0.41) GSK3AGSK3BCDK5ABL1PIM1
SCHEMBL16563540 0.77 CYP11B1 (0.35) CYP11B1CYP11B2MBXIAPBIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577217-B2 15-PGDH inhibitor KYORIN PHARMACEUTICAL CO., LTD. (JP) 2026-03-17 US disclosed
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
US-20230082516-A1 15-PGDH INHIBITOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2023-03-16 US disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
CN-113226310-A 15-PGDH inhibitors 杏林制药株式会社 2021-08-06 CN disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
EP-3642193-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2020-04-29 EP disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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 (8 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-20230082516-A1 15-PGDH INHIBITOR UGDH, HPGD, GCDH GSK3A 1233/4885GSK3B 1150/4885CDK5 1457/4885
US-12577217-B2 15-PGDH inhibitor PTGDR, ADH1A, ADRA1A GSK3A 1319/4885GSK3B 1879/4885CDK5 2979/4885
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP GSK3A 777/4885GSK3B 476/4885CDK5 620/4885
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR GSK3A 4138/4885GSK3B 4087/4885CDK5 232/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA GSK3A 3585/4885GSK3B 3392/4885CDK5 1076/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP GSK3A 777/4885GSK3B 476/4885CDK5 620/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF GSK3A 2643/4885GSK3B 2255/4885CDK5 536/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF GSK3A 2643/4885GSK3B 2255/4885CDK5 536/4885

“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.