SCHEMBL6493232

SCHEMBL6493232

Nc1cnc2ccccc2c1NCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
POLB P06746 6/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
RAD52 P43351 3/20 0.61
LMNA P02545 3/20 0.61
MITF O75030 2/20 0.61
GLA P06280 2/20 0.61
RAB9A P51151 2/20 0.61
TTR P02766 1/20 0.61
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
TLR9 Q9NR96 1/20 0.49
TERT O14746 2/20 0.47
MAPK1 P28482 2/20 0.45

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
Hydrochloric Acid SCHEMBL10728396 0.98 POLB (0.59) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL10728537 0.91 POLB (0.63) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL4313700 0.90 POLB (0.57) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL12665011 0.87 POLB (0.44) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL3170264 0.86 KMT2A (0.46) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL6096807 0.86 HTR1A (0.51) POLBRAD52HRH3SLC2A1
SCHEMBL3641050 0.84 POLB (0.41) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL18843434 0.84 APP (0.50) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL7218710 0.83 POLB (0.45) KDM4EPOLBALDH1A1GAARAD52
SCHEMBL9602738 0.82 APP (0.55) KDM4EPOLBGAALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003153-B Nitrogen-containing five-membered heterocyclic quinoline compound and salt, preparation method, pharmaceutical composition and application thereof 中国医学科学院肿瘤医院 2021-04-30 CN disclosed
CN-108003153-A Nitrogenous five-ring heterocycles and quinolines and its salt, preparation method, pharmaceutical composition and purposes 中国医学科学院肿瘤医院 2018-05-08 CN disclosed
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
US-6916925-B1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES CO. (US) 2005-07-12 US disclosed
EP-1228147-B1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2004-02-04 EP disclosed
US-6630588-B2 Imidazonaphthyridine, imidazopyridine and imidazoquinoline compounds that have immune response modulating activity and that contain a dye moiety, in particular, a fluorescent dye moiety, e.g., dipyrrometheneboron difluoride dyes 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20020120141-A1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES COMPANY 2002-08-29 US disclosed
EP-1228147-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M Innovative Properties Company (US) 2002-08-07 EP disclosed
US-6376669-B1 COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY 2002-04-23 US disclosed
WO-2001034709-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-17 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 (3 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-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KDM4E 3681/4885POLB 1872/4885ALDH1A1 1659/4885
US-20020120141-A1 Dye labeled imidazoquinoline compounds LY96, CD74, IFNAR1 KDM4E 3326/4885POLB 3400/4885ALDH1A1 1521/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KDM4E 3681/4885POLB 1872/4885ALDH1A1 1659/4885

“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.