SCHEMBL13614845

SCHEMBL13614845

c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4nc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc34)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
CES1 P23141 1/20 0.40
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 1/20 0.36
DNMT1 P26358 1/20 0.36
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL13614847 0.87 ALOX5 (0.41) ALOX5GPR84CES1KDM4EALDH1A1
SCHEMBL13078924 0.84 ALDH1A1 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL4943241 0.84 ALDH1A1 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL13614857 0.83 GPR84 (0.44) ALOX5GPR84KDM4EALDH1A1ESR1
SCHEMBL13614854 0.82 ESR1 (0.40) ALOX5GPR84CES1KDM4ECYP1A2
SCHEMBL13614841 0.82 GPR84 (0.45) ALOX5GPR84KDM4ECYP1A2CYP2C19
SCHEMBL13078922 0.81 PIM1 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL13078976 0.81 ALDH1A1 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL13614824 0.80 ALOX5 (0.49) ALOX5GPR84CES1KDM4EALDH1A1
SCHEMBL1527423 0.80 ALOX5 (0.52) ALOX5GPR84CES1CA12CA1

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-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
WO-2008047589-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-24 WO disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US 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-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative NQO1, GLB1, PDXK ALOX5 549/4885GPR84 913/4885CES1 1340/4885

“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.