SCHEMBL16739386

SCHEMBL16739386

CN(C)c1ccc2cc(-c3ccccc3F)c(Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.49
▸ APP P05067 1/20 0.49
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ PSMB5 P28074 2/20 0.40
▸ MBNL1 Q9NR56 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ GPBAR1 Q8TDU6 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) TERTAPPNPC1RAB9ARXFP1
SCHEMBL18226915 0.81 TERT (0.46) TERTAPPNPC1RAB9ARXFP1
SCHEMBL18227018 0.75 HRH4 (0.48) TERTAPPMAPTKDM4EALDH1A1
SCHEMBL16739382 0.74 EGFR (0.48) TERTAPPNPC1RAB9ARXFP1
SCHEMBL18227073 0.73 TERT (0.47) TERTAPPNPC1RAB9ARXFP1
SCHEMBL18227144 0.71 TERT (0.49) TERTAPPNPC1RAB9APSMB5
SCHEMBL18227070 0.71 TERT (0.49) TERTAPPNPC1RAB9AMAPT
SCHEMBL16739387 0.69 KDR (0.40) NPC1RAB9ARXFP1MAPTKDM4E
SCHEMBL16739385 0.69 MAPT (0.38) TERTAPPNPC1RAB9ARXFP1
Acridine Orange SCHEMBL297155 0.68 TERT (1.00) TERTAPPNPC1RAB9AMAPT

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-9873670-B2 Arylquinoline and analog compounds and use thereof to treat cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-01-23 — — US disclosed
US-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-11-17 — — US disclosed
US-20160280652-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-09-29 — — US disclosed
WO-2015077550-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-05-28 — — WO 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 (2 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-20160280652-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER CASP4, BAD, BID TERT 971/4885APP 1086/4885NPC1 2709/4885
US-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER CASP4, PARP14, API5 TERT 1541/4885APP 2258/4885NPC1 3477/4885

“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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