SCHEMBL18227073

SCHEMBL18227073

CN(C)c1ccc2cc(-c3cccc(F)c3F)c(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.47
▸ APP P05067 1/20 0.47
▸ APAF1 O14727 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ NOS1 P29475 5/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MAT2A P31153 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PSMB5 P28074 2/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL16739391 0.90 TERT (0.49) TERTAPPAPAF1KCNH2NOS1
SCHEMBL18227144 0.87 TERT (0.49) TERTAPPAPAF1KCNH2NOS1
SCHEMBL18227090 0.81 APP (0.47) TERTAPPAPAF1NOS1EGFR
SCHEMBL18226918 0.81 APP (0.47) TERTAPPAPAF1NOS1EGFR
SCHEMBL16739384 0.80 TERT (0.46) TERTAPPPSMB5NPC1RAB9A
SCHEMBL18227093 0.79 TERT (0.49) TERTAPPAPAF1NOS1EGFR
SCHEMBL18227070 0.79 TERT (0.49) TERTAPPAPAF1EGFRBACE1
SCHEMBL18226916 0.78 APP (0.47) TERTAPPAPAF1EGFRBACE1
SCHEMBL18227142 0.77 APP (0.50) TERTAPPAPAF1NOS1EGFR
SCHEMBL16739383 0.77 APP (0.50) TERTAPPAPAF1EGFRPSMB5

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 TERT 1541/4885APP 2258/4885APAF1 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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