SCHEMBL6723784

SCHEMBL6723784

CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.50
PDE5A O76074 2/20 0.42
NR3C2 P08235 1/20 0.42
KDR P35968 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PDK2 Q15119 1/20 0.41
MAOA P21397 1/20 0.40
CHEK2 O96017 1/20 0.40
GSK3B P49841 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PNPLA2 Q96AD5 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6723434 1.00 CHKA (0.50) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL13826088 1.00 CHKA (0.50) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL6724011 1.00 CHKA (0.50) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL6723531 0.98 CHKA (0.49) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL6723789 0.98 CHKA (0.49) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL6723961 0.98 CHKA (0.51) CHKAPDE5ATAAR1MAOAGSK3B
SCHEMBL20091188 0.96 CHKA (0.47) CHKAPDE5ANR3C2KDRTAAR1
SCHEMBL6724189 0.96 CHKA (0.49) CHKAPDE5ATAAR1MAOAHSD17B1
SCHEMBL6723947 0.96 CHKA (0.53) CHKAPDE5ANR3C2KDRMAOA
SCHEMBL12048251 0.94 CHKA (0.46) CHKAPDE5ANR3C2KDRTAAR1

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 3174/4885NR3C2 2113/4885

“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.