SCHEMBL6723965

SCHEMBL6723965

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.45
PDK2 Q15119 1/20 0.43
PDE5A O76074 2/20 0.41
PTPN1 P18031 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
PTGS2 P35354 1/20 0.37
KDR P35968 1/20 0.37
HTR7 P34969 2/20 0.37
NR3C2 P08235 1/20 0.37
BACE1 P56817 1/20 0.37
DHFR P00374 1/20 0.36
BRD4 O60885 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 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
SCHEMBL6723847 0.98 CHKA (0.42) CHKAPDK2PDE5APTPN1CES1
SCHEMBL6723966 0.94 PDK2 (0.43) CHKAPDK2PDE5APTPN1CES1
SCHEMBL6723811 0.94 PDK2 (0.43) CHKAPDK2PDE5APTPN1CES1
SCHEMBL6726809 0.91 CHKA (0.39) CHKAPDK2PDE5APTPN1CES1
SCHEMBL20091259 0.87 PDK2 (0.39) CHKAPDK2PDE5AMEN1KMT2A
SCHEMBL6723947 0.85 CHKA (0.53) CHKAPDE5AGSK3BABCG2KDR
SCHEMBL6723739 0.85 PTGS2 (0.45) CHKAPDK2PDE5APTPN1CES1
SCHEMBL20005870 0.84 PDK2 (0.46) CHKAPDK2PDE5AMEN1KMT2A
SCHEMBL23349386 0.84 PDE5A (0.46) CHKAPDK2PDE5AMEN1KMT2A
SCHEMBL6723961 0.83 CHKA (0.51) CHKAPDE5AGSK3BABCG2

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 4185/4885PDK2 625/4885PDE5A 3174/4885

“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.