SCHEMBL4307787

SCHEMBL4307787

C=CCn1c(=O)ccc2ncc(OC)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
CYP1A2 P05177 7/20 0.37
PKM P14618 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL15850862 0.90 KCNH2 (0.43) PIK3CACYP1A2PDE10ANPC1RAB9A
SCHEMBL3842971 0.88 CYP1A2 (0.38) CYP1A2PDE10AALDH1A1TSHRCYP3A4
SCHEMBL910325 0.87 CYP1A2 (0.41) CYP1A2PDE10AALDH1A1TSHRCYP3A4
SCHEMBL3858149 0.81 PIK3CA (0.40) PIK3CAPKMNPC1RAB9AALDH1A1
SCHEMBL15850811 0.81 CYP1A2 (0.41) CYP1A2PDE10AALDH1A1TSHRCYP3A4
SCHEMBL12065914 0.79 ALDH1A1 (0.44) CYP1A2PDE10AALDH1A1TSHRCYP3A4
SCHEMBL910166 0.78 KCNH2 (0.42) CYP1A2ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL910164 0.78 KCNH2 (0.42) CYP1A2ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL3844363 0.77 KCNH2 (0.43) CYP1A2PDE10AALDH1A1TSHRCYP3A4
SCHEMBL909870 0.77 CYP1A2 (0.46) CYP1A2PDE10AALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CA 2470/4885CYP1A2 1854/4885PKM 3619/4885

“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.