SCHEMBL1141198

SCHEMBL1141198

Nc1c(Cl)nc2ccccc2c1NCC1CC(O)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 3/20 0.35
GAA P10253 3/20 0.35
ACHE P22303 3/20 0.35
P2RX7 Q99572 1/20 0.35
TACR1 P25103 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL1141199 0.75 KDM4E (0.40) KDM4EALDH1A1ACHEMEN1HPGD
SCHEMBL31037653 0.74 PRMT5 (0.47) ALDH1A1GAAACHEMEN1KMT2A
SCHEMBL213949 0.70 KCNH3 (0.46) KDM4EALDH1A1GLAGAAACHE
SCHEMBL21632108 0.68 BCHE (0.47) KDM4EALDH1A1GLAGAAACHE
SCHEMBL211489 0.66 POLB (0.51) KDM4EALDH1A1GAAACHEPOLB
SCHEMBL17675656 0.66 ACHE (0.52) KDM4EALDH1A1GLAGAAACHE
SCHEMBL6923708 0.66 KDM4E (0.48) KDM4EMEN1KMT2A
SCHEMBL13722390 0.66 TACR1 (0.46) TACR1
SCHEMBL13968056 0.66 KMT2A (0.66) KDM4EALDH1A1GAAACHEPOLB
SCHEMBL202694 0.65 POLB (0.68) KDM4EALDH1A1GLAGAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2015-08-06 US disclosed
US-9006264-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-14 US disclosed
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-01-09 US disclosed
US-8541438-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-24 US disclosed
US-20110092477-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2011-04-21 US disclosed
US-7884207-B2 such as 4-[(4-Amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)methyl]tetrahydro-2H-pyran-4-ol, used as immunomodulators, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-08 US disclosed
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 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 (6 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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 HCRTR1 3419/4885HCRTR2 3310/4885KDM4E 3854/4885
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 HCRTR1 3419/4885HCRTR2 3310/4885KDM4E 3854/4885
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines IL2, IFNG, IL4 HCRTR1 3263/4885HCRTR2 3282/4885KDM4E 3700/4885
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 HCRTR1 3419/4885HCRTR2 3310/4885KDM4E 3854/4885
US-20110092477-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 HCRTR1 3419/4885HCRTR2 3310/4885KDM4E 3854/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 HCRTR1 3419/4885HCRTR2 3310/4885KDM4E 3854/4885

“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.