SCHEMBL18226918

SCHEMBL18226918

CN(C)c1ccc2cc(-c3ccc(F)cc3F)c(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.47
▸ TERT O14746 2/20 0.47
▸ APAF1 O14727 1/20 0.38
▸ TCF4 P15884 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ IDO2 Q6ZQW0 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ PSMB5 P28074 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL18227090 0.89 APP (0.47) APPTERTAPAF1TCF4CTNNB1
SCHEMBL16739391 0.84 TERT (0.49) APPTERTAPAF1BACE1EGFR
SCHEMBL16739383 0.83 APP (0.50) APPTERTAPAF1TCF4CTNNB1
SCHEMBL18227073 0.81 TERT (0.47) APPTERTAPAF1BACE1EGFR
SCHEMBL18227142 0.80 APP (0.50) APPTERTAPAF1TCF4CTNNB1
SCHEMBL16739384 0.80 TERT (0.46) APPTERTPSMB5
SCHEMBL18227144 0.79 TERT (0.49) APPTERTAPAF1BACE1EGFR
SCHEMBL18226916 0.78 APP (0.47) APPTERTAPAF1TCF4CTNNB1
SCHEMBL18227093 0.73 TERT (0.49) APPTERTAPAF1EGFRNOS1
SCHEMBL18227070 0.73 TERT (0.49) APPTERTAPAF1BACE1EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-11-17 — — 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-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER CASP4, PARP14, API5 APP 2258/4885TERT 1541/4885APAF1 7/4885

“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.

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