SCHEMBL16739387

SCHEMBL16739387

CN(C)c1ccc2cc(-c3ccccc3F)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ AR P10275 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ DDO Q99489 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16739385 0.84 MAPT (0.38) MAPTNPC1RAB9ARXFP1AR
SCHEMBL7879959 0.73 BRD4 (0.56) MAPTARDAODDOKDM4E
SCHEMBL28623299 0.70 KDM4E (0.38) MAPTNPC1RAB9AKDM4EBRD4
SCHEMBL16739391 0.69 TERT (0.49) MAPTNPC1RAB9ARXFP1FGFR1
SCHEMBL12611323 0.69 DAO (0.51) MAPTRAB9ADAODDOKDM4E
SCHEMBL16739386 0.69 TERT (0.49) MAPTNPC1RAB9ARXFP1KDM4E
SCHEMBL31273615 0.69 SLC16A3 (0.54) DAODDOKDM4EALDH1A1
SCHEMBL4553044 0.68 AR (0.51) MAPTNPC1RXFP1ARKDM4E
SCHEMBL18226915 0.68 TERT (0.46) MAPTNPC1RAB9ARXFP1ALDH1A1
SCHEMBL31273602 0.67 DAO (0.39) ARDAODDOKDM4ECFTR

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 3 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-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 (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-20160280652-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER CASP4, BAD, BID KDR 3126/4885CHEK1 519/4885MAPT 3195/4885

“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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