SCHEMBL27167482

SCHEMBL27167482

CCOC(=O)c1nn(-c2ccc3[nH]cc(C#N)c3c2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PFKFB2 O60825 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 2/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL27167504 0.82 GABRA1 (0.42) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL29992349 0.82 GABRA1 (0.42) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL27167520 0.81 GABRA1 (0.37) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL1647154 0.81 GABRA1 (0.43) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL29992395 0.80 GABRA1 (0.38) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL31047174 0.80 GABRA1 (0.38) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL27167505 0.78 MAOA (0.46) KDM4EALDH1A1HPGD
SCHEMBL29992457 0.78 MAOA (0.46) KDM4EALDH1A1HPGD
SCHEMBL27167522 0.77 XDH (0.41) KDM4E
SCHEMBL1646345 0.77 SCN9A (0.45)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160299-B Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2024-08-16 CN disclosed
US-20240262808-A1 XANTHINE OXIDASE INHIBITOR JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2024-08-08 US disclosed
EP-4335844-A1 CLASS OF XANTHINE OXIDASE INHIBITORS Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2024-03-13 EP disclosed
CN-115160299-A Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2022-10-11 CN 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 (1 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-20240262808-A1 XANTHINE OXIDASE INHIBITOR XDH, PNPO, MPO GABRA1 2716/4885GABRB2 2841/4885KDM4E 2348/4885

“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.