SCHEMBL4304740

SCHEMBL4304740

COc1ccc2ncc(=O)n(CCN3C[C@H](CN)[C@H](O)C3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
CYP1A2 P05177 9/20 0.39
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
USP2 O75604 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3839951 0.92 KCNH2 (0.53) KCNH2CYP1A2
SCHEMBL4303090 0.86 KCNH2 (0.52) KCNH2CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL18544344 0.85 KCNH2 (0.45) KCNH2
SCHEMBL18529041 0.85 KCNH2 (0.45) KCNH2
SCHEMBL18544186 0.82 KCNH2 (0.56) KCNH2CYP1A2TSHRADORA2A
Carbamic Acid SCHEMBL28418201 0.82 KCNH2 (0.42) KCNH2
SCHEMBL18544187 0.82 KCNH2 (0.56) KCNH2CYP1A2TSHRADORA2A
SCHEMBL4298732 0.82 KCNH2 (0.47) KCNH2CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL4298733 0.82 KCNH2 (0.47) KCNH2CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL4298728 0.82 KCNH2 (0.47) KCNH2CYP1A2CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 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-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP KCNH2 2998/4885CYP1A2 4380/4885CYP3A4 3048/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885CYP1A2 1854/4885CYP3A4 704/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC KCNH2 2823/4885CYP1A2 3905/4885CYP3A4 2837/4885

“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.