SCHEMBL114776

SCHEMBL114776

OB(O)c1cc(F)cnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL29956606 1.00 AGBL2 (0.33) AGBL2GPBAR1CXCR2
SCHEMBL1921181 0.78 PLAU (0.34)
SCHEMBL29955213 0.78 AGBL2 (0.35) AGBL2
SCHEMBL3576871 0.78 AGBL2 (0.35) AGBL2
SCHEMBL29911650 0.77 CCR1 (0.35)
SCHEMBL114106 0.77 CCR1 (0.35)
SCHEMBL27194774 0.77 AGBL2 (0.42) AGBL2
SCHEMBL30761873 0.77 AGBL2 (0.42) AGBL2
SCHEMBL29955627 0.77 PDXK (0.31)
SCHEMBL20157287 0.75 NOS3 (0.34) AGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2023-03-30 US disclosed
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN disclosed
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-12-07 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders BIAL—BioTech Investments, Inc. (PT) 2021-03-02 US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (13 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 AGBL2 4572/4885GPBAR1 342/4885CXCR2 992/4885
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 AGBL2 2520/4885GPBAR1 2615/4885CXCR2 652/4885
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 AGBL2 701/4885GPBAR1 2440/4885CXCR2 2871/4885
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R AGBL2 4776/4885GPBAR1 65/4885CXCR2 664/4885
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA AGBL2 2688/4885GPBAR1 1879/4885CXCR2 2988/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 AGBL2 2520/4885GPBAR1 2615/4885CXCR2 652/4885
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A AGBL2 576/4885GPBAR1 91/4885CXCR2 3148/4885
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 AGBL2 1624/4885GPBAR1 2235/4885CXCR2 3929/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 AGBL2 4430/4885GPBAR1 544/4885CXCR2 2204/4885
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, GAA, PARK7 AGBL2 2531/4885GPBAR1 2068/4885CXCR2 3114/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A AGBL2 576/4885GPBAR1 91/4885CXCR2 3148/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 AGBL2 4197/4885GPBAR1 1908/4885CXCR2 153/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 AGBL2 778/4885GPBAR1 1715/4885CXCR2 1586/4885

“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.