SCHEMBL4754006

SCHEMBL4754006

O=c1cc(O)c2cnccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.75
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
DAO P14920 2/20 0.51
FEN1 P39748 1/20 0.50
PARP1 P09874 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ACHE P22303 4/20 0.46
CHEK1 O14757 3/20 0.46
AR P10275 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL29390241 1.00 KDM5A (0.75) KDM5AKDM4EALDH1A1DAOFEN1
Trifluoroacetic Acid SCHEMBL31704032 0.88 KDM5A (0.60) KDM5AKDM4EALDH1A1DAOFEN1
SCHEMBL3242090 0.86 KDM5A (1.00) KDM5AKDM4EALDH1A1DAOPARP1
SCHEMBL30064094 0.86 KDM5A (1.00) KDM5AKDM4EALDH1A1DAOPARP1
SCHEMBL29498328 0.80 TNKS2 (0.56) KDM5AKDM4EALDH1A1FEN1PARP1
SCHEMBL4753109 0.79 KDM5A (0.51) KDM5ADAOFEN1PARP1PDE3B
SCHEMBL10724700 0.79 KDM5A (0.51) KDM5ADAOFEN1PARP1PDE3B
SCHEMBL22434515 0.75 FEN1 (0.54) KDM5ADAOFEN1PARP1PDE3B
SCHEMBL10730225 0.75 KDM5A (0.47) KDM5AFEN1PARP1PDE3BPDE3A
SCHEMBL1193735 0.73 KDM4E (1.00) KDM5AKDM4EALDH1A1DAOAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163775-B Novel [1,6] naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors 勃林格殷格翰国际有限公司 2023-07-11 CN disclosed
CN-111163775-A Novel [1,6] naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors 勃林格殷格翰国际有限公司 2020-05-15 CN disclosed
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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 (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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 KDM5A 4732/4885KDM4E 4691/4885ALDH1A1 2365/4885

“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.