SCHEMBL18227093

SCHEMBL18227093

CN(C)c1ccc2cc(-c3ccccc3Br)c(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.49
▸ APP P05067 1/20 0.49
▸ APAF1 O14727 1/20 0.42
▸ PSMB5 P28074 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ EGFR P00533 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ NOS1 P29475 5/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ALPL P05186 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 0.83 TERT (0.49) TERTAPPAPAF1PSMB5NPC1
SCHEMBL18227070 0.83 TERT (0.49) TERTAPPAPAF1PSMB5NPC1
SCHEMBL18227073 0.79 TERT (0.47) TERTAPPAPAF1PSMB5NPC1
SCHEMBL24800994 0.75 TERT (0.43) TERTAPPAPAF1PSMB5NPC1
SCHEMBL24800992 0.75 APP (0.43) TERTAPPAPAF1PSMB5NPC1
SCHEMBL18227144 0.74 TERT (0.49) TERTAPPAPAF1PSMB5NPC1
SCHEMBL31089909 0.74 CDK5 (0.43) TERTAPPNPC1RAB9AMAPT
SCHEMBL24800997 0.74 CDK5 (0.43) TERTAPPNPC1RAB9AMAPT
SCHEMBL18227090 0.73 APP (0.47) TERTAPPAPAF1PSMB5NPC1
SCHEMBL18226918 0.73 APP (0.47) TERTAPPAPAF1PSMB5EGFR

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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