SCHEMBL4294484

SCHEMBL4294484

COc1ccc2ncc(=O)n(CCN3CCC[C@@H](CN)C3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.52
PDE5A O76074 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
CYP1A2 P05177 4/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 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
SCHEMBL18544187 0.94 KCNH2 (0.56) KCNH2CYP1A2TSHRADORA2A
SCHEMBL18544186 0.94 KCNH2 (0.56) KCNH2CYP1A2TSHRADORA2A
Hydrochloric Acid SCHEMBL18529085 0.93 KCNH2 (0.55) KCNH2CYP1A2TSHRADORA2A
Hydrochloric Acid SCHEMBL18529086 0.93 KCNH2 (0.55) KCNH2CYP1A2TSHRADORA2A
SCHEMBL4305547 0.86 KCNH2 (0.52) KCNH2PDE5AKDM2B
SCHEMBL18544260 0.85 KCNH2 (0.56) KCNH2CYP1A2TSHRALDH1A1CYP2C19
SCHEMBL18544255 0.84 KCNH2 (0.56) KCNH2
SCHEMBL4298728 0.84 KCNH2 (0.47) KCNH2CYP1A2TSHRALDH1A1CYP2C19
SCHEMBL4298733 0.84 KCNH2 (0.47) KCNH2CYP1A2TSHRALDH1A1CYP2C19
SCHEMBL4298732 0.84 KCNH2 (0.47) KCNH2CYP1A2TSHRALDH1A1CYP2C19

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
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP 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 (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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885PDE5A 2677/4885KDM2B 3497/4885

“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.