SCHEMBL2815929

SCHEMBL2815929

N#Cc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CYP19A1 P11511 1/20 0.44
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
ACLY P53396 2/20 0.43
TSHR P16473 2/20 0.43
PTGS1 P23219 3/20 0.42
MEN1 O00255 2/20 0.42
PTGS2 P35354 2/20 0.42
KMT2A Q03164 2/20 0.42
FABP2 P12104 1/20 0.42
AKR1C4 P17516 1/20 0.42
ADRA2B P18089 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL19308493 0.87 KIF11 (0.54) GABRG2GABRB3GABRA5GABRA3ACLY
SCHEMBL18499494 0.87 KIF11 (0.54) GABRG2GABRB3GABRA5GABRA3ACLY
SCHEMBL20848692 0.87 ACLY (0.50) EGLN2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL27806612 0.86 KIF11 (0.51) EGLN2PTGS1CYP11B1CYP11B2PDE3B
SCHEMBL16343938 0.85 PTGDR2 (0.49) PTGDR2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL29788195 0.85 PTGDR2 (0.49) PTGDR2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL34471260 0.85 PTGS1 (0.51) EGLN2GABRG2GABRB3GABRA5GABRA3
SCHEMBL20848429 0.83 ACLY (0.50) EGLN2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL21742000 0.83 ABCG2 (0.49) EGLN2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL20114642 0.83 ABCG2 (0.49) EGLN2CYP19A1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103517901-A 1,4-oxazepines as bace1 and/or bace2 inhibitors HOFFMANN LA ROCHE 2014-01-15 CN claimed
CN-119219454-A Method for preparing aromatic nitrile compound by photoinitiating nitroarene denitration cyanation 武汉光化学技术研究院 2024-12-31 CN disclosed
CN-116199599-B Method for preparing aryl nitrile compound 江苏师范大学 2024-11-15 CN disclosed
CN-112805270-B 1-Methyl-4- [ (4-phenylphenyl) sulfonylmethyl ] cyclohexanols and 1-methyl-4- [ [4- (2-pyridinyl) phenyl ] sulfonylmethyl ] cyclohexanols compounds and their therapeutic uses 现代生物科学有限公司 2024-10-18 CN disclosed
CN-113766953-B N-acyl- {4- [ (4-aryl-phenyl) sulfonylmethyl ] piperidine } compounds and their therapeutic uses 现代生物科学有限公司 2024-07-02 CN disclosed
CN-116199599-A Method for preparing aryl nitrile compound 江苏师范大学 2023-06-02 CN disclosed
EP-3364968-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS Merck Sharp & Dohme Corp. (US) 2018-08-29 EP disclosed
US-9850261-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-12-26 US disclosed
US-9850261-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-12-26 US disclosed
US-20170210766-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-27 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
EP-2170850-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-04-07 EP disclosed
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP disclosed
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 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 (3 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-20170210766-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE RAD51, CA1, DCLRE1A EGLN2 336/4885PTGDR2 2791/4885CYP19A1 3284/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT EGLN2 1533/4885PTGDR2 3948/4885CYP19A1 2474/4885
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 EGLN2 2850/4885PTGDR2 263/4885CYP19A1 2713/4885

“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.