SCHEMBL6723586

SCHEMBL6723586

CN(c1ccccc1)c1ccccc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 8/20 0.42
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTPN1 P18031 1/20 0.37
CES1 P23141 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
GSK3B P49841 1/20 0.36
MAOA P21397 1/20 0.35
CHKB Q9Y259 1/20 0.35
KMO O15229 1/20 0.35
PDE5A O76074 1/20 0.35
TACR1 P25103 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
SCHEMBL6723840 0.95 CHKA (0.38) CHKAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6723989 0.95 CHKA (0.38) CHKAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6724024 0.91 PTGER1 (0.37) CHKAPTGER1PTGER4PTGER3PTGER2
SCHEMBL21673236 0.91 ALDH1A1 (0.44) CHKAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6724306 0.91 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2MAOA
SCHEMBL6724005 0.89 CHKA (0.39) CHKAMAOAPDE5ATACR1
SCHEMBL22807881 0.89 CHKA (0.40) CHKACHKBPDE5ATACR1
SCHEMBL27498154 0.89 PTPN1 (0.41) CHKAPTPN1CES1EGFRSRC
SCHEMBL6723582 0.87 CHKA (0.41) CHKAPTPN1CES1EGFRSRC
SCHEMBL6723411 0.87 PTPN1 (0.42) CHKAPTPN1CES1EGFRSRC

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 4185/4885PTGER1 218/4885PTGER4 502/4885

“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.