SCHEMBL12722087

SCHEMBL12722087

c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6cc(-c7cccc8ccccc78)c(-c7cccc8ccccc78)cc6nc5-c5ccc(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)cc4)cc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.52
▸ ALDH1A1 P00352 10/20 0.52
▸ KDM4E B2RXH2 7/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ ATM Q13315 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ATR Q13535 2/20 0.52
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.47
▸ NPC1 O15118 9/20 0.47
▸ HPGD P15428 7/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 6/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ NFKB1 P19838 3/20 0.43

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
SCHEMBL12721926 1.00 RAB9A (0.52) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL10315097 0.91 ATR (0.47) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL10315354 0.91 ATR (0.47) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL12721860 0.88 ATR (0.53) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL12721796 0.88 ALDH1A1 (0.56) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL12721924 0.86 RAB9A (0.51) RAB9AALDH1A1KDM4EHSD17B10ATR
SCHEMBL12722086 0.86 RAB9A (0.51) RAB9AALDH1A1KDM4EHSD17B10ATR
SCHEMBL12721695 0.85 ATR (0.53) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL12721961 0.85 ATR (0.53) RAB9AALDH1A1KDM4EHSD17B10ATM
SCHEMBL10125953 0.85 ALDH1A1 (0.47) RAB9AALDH1A1KDM4EHSD17B10ATM

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
US-7927720-B2 Quinoxaline derivative and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-04-19 — — US disclosed
US-7927720-B2 Quinoxaline derivative and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-04-19 — — US disclosed
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 — — US disclosed
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 — — 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-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, PPOX, NQO1 RAB9A 2280/4885ALDH1A1 764/4885KDM4E 1452/4885

“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.

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