SCHEMBL31571

SCHEMBL31571

CC(C)COc1ccc(Br)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.57
XDH P47989 6/20 0.52
SLC22A12 Q96S37 1/20 0.52

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
SCHEMBL17155460 0.88 AAK1 (0.58) AAK1XDHSLC22A12
SCHEMBL9477443 0.86 AAK1 (0.51) AAK1XDHSLC22A12
SCHEMBL7695663 0.86 AAK1 (0.51) AAK1XDHSLC22A12
SCHEMBL7695665 0.86 AAK1 (0.51) AAK1XDHSLC22A12
SCHEMBL28986747 0.84 AAK1 (0.49) AAK1XDHSLC22A12
SCHEMBL31573 0.83 XDH (0.69) AAK1XDHSLC22A12
SCHEMBL13182575 0.82 XDH (0.53) XDHSLC22A12
SCHEMBL2344031 0.82 XDH (0.53) XDHSLC22A12
SCHEMBL31019133 0.82 XDH (0.53) XDHSLC22A12
SCHEMBL392560 0.81 MAOB (0.47) AAK1XDH

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
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 CN claimed
CN-110078668-B Phenyl imidazole XOR inhibitor, preparation and application 华南理工大学 2023-03-24 CN disclosed
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 CN disclosed
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 CN disclosed
CN-106279024-A A kind of xanthine oxidoreductase inhibitors and preparation method and application 华南理工大学 2017-01-04 CN disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
CN-103068807-B By using the preparation method of phenyl substituted heterocycle derivative of coupling process of palladium compound TEIJIN PHARMA LTD. (JP) 2016-05-25 CN disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
CN-102333765-B Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LTD 2015-01-14 CN disclosed
US-7612108-B2 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2009-11-03 US disclosed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed
CN-101389352-A Agent for treating or preventing digestive ulcer ASTELLAS PHARMA INC (JP) 2009-03-18 CN disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2008-01-31 US disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
CN-101010300-A 2-phenylpyridine derivative ASTELLAS PHARMA INC (JP) 2007-08-01 CN disclosed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP disclosed
EP-1783124-A1 2-PHENYLTHIOPHENE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA AAK1 1983/4885XDH 2/4885SLC22A12 745/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN AAK1 2320/4885XDH 1/4885SLC22A12 1172/4885
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy XDH, UACA, NUDT1 AAK1 2805/4885XDH 1/4885SLC22A12 281/4885

“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.