SCHEMBL6723679

SCHEMBL6723679

CN(c1ccccc1)c1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 5/20 0.51
PDE5A O76074 2/20 0.43
MAOA P21397 1/20 0.41
KMO O15229 1/20 0.41
GSK3B P49841 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
NR3C2 P08235 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL6723913 0.98 CHKA (0.49) CHKAPDE5AMAOAKMOABCG2
SCHEMBL6723947 0.98 CHKA (0.53) CHKAPDE5AMAOAGSK3BABCG2
SCHEMBL6723789 0.96 CHKA (0.49) CHKAPDE5AMAOAKMOGSK3B
SCHEMBL6723531 0.96 CHKA (0.49) CHKAPDE5AMAOAKMOGSK3B
SCHEMBL6723961 0.96 CHKA (0.51) CHKAPDE5AMAOAGSK3BABCG2
SCHEMBL6723762 0.96 CHKA (0.50) CHKAPDE5AMAOAABCG2ALDH1A1
SCHEMBL20091188 0.94 CHKA (0.47) CHKAPDE5AMAOAGSK3BNR3C2
SCHEMBL6724123 0.94 CHKA (0.46) CHKAPDE5AMAOAKMOABCG2
SCHEMBL6723784 0.94 CHKA (0.50) CHKAPDE5AMAOAGSK3BNR3C2
SCHEMBL6723434 0.94 CHKA (0.50) CHKAPDE5AMAOAGSK3BNR3C2

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 CHKA 4185/4885PDE5A 3174/4885MAOA 1201/4885

“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.