Sugi Predict

Sugi Predict / Compounds / SCHEMBL6725324

SCHEMBL6725324

SCHEMBL6725324

c1ccc(-c2nc3c(-c4ccc5ccccc5c4)ccc(-c4ccccc4)c3nc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ GSTP1 P09211 1/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ MAPK10 P53779 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
SCHEMBL6725454 1.00 ADORA2A (0.46) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL12207346 0.99 ADORA2A (0.47) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL6724961 0.99 ADORA2A (0.47) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL12207702 0.97 ADORA2A (0.44) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL12690593 0.96 ADORA2A (0.43) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL12207335 0.89 ADK (0.41) ADORA2AADORA1KDM4EALDH1A1CYP1A2
SCHEMBL12207690 0.89 ADK (0.41) ADORA2AADORA1KDM4EALDH1A1CYP1A2
SCHEMBL6725006 0.89 ADK (0.41) ADORA2AADORA1KDM4EALDH1A1CYP1A2
SCHEMBL13078950 0.89 ADORA2A (0.54) ADORA2AADORA1GSTP1CYP1A1CYP1B1
SCHEMBL18024172 0.89 ADORA2A (0.42) ADORA2AADORA1GSTP1CYP1A1CYP1B1

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-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 — — US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 — — US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 — — 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 ADORA2A 486/4885ADORA1 156/4885GSTP1 804/4885

“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.