SCHEMBL1024702

SCHEMBL1024702

Cc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.40
PARP1 P09874 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AGTR1 P30556 1/20 0.39
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL405386 0.84 TSHR (0.47) MAPTTSHRKMT2AMEN1PARP1
SCHEMBL29742161 0.84 TSHR (0.47) MAPTTSHRKMT2AMEN1PARP1
SCHEMBL26199343 0.84 MAPT (0.49) MAPTTSHRCYP3A4KMT2AMEN1
SCHEMBL27747270 0.83 PARP1 (0.50) MAPTCYP3A4KMT2AMEN1PARP1
SCHEMBL1025814 0.82 MAPT (0.48) MAPTTSHRCYP3A4KMT2AMEN1
SCHEMBL2244805 0.82 TDP1 (0.45) MAPTTSHRKMT2AMEN1PARP1
SCHEMBL8195276 0.82 MEN1 (0.38) MAPTTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL358123 0.82 EGFR (0.42) MAPTTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL28027642 0.82 MEN1 (0.38) MAPTTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL2597703 0.82 PARP1 (0.40) MAPTTSHRKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 US disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 US disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8637670-B2 Imidazo [4,5-C]quinoline derivatives and their use in the treatment of tumors and/or inflammation Piramal Enterprises Limited (IN) 2014-01-28 US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
EP-2448937-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION Piramal Life Sciences Limited (IN) 2012-05-09 EP disclosed
US-20120108627-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION Piramal Enterprises Limited (IN) 2012-05-03 US disclosed
WO-2011001212-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-01-06 WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 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 (4 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA MAPT 285/4885TSHR 1893/4885CYP3A4 1897/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA MAPT 246/4885TSHR 2155/4885CYP3A4 1617/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 MAPT 4491/4885TSHR 2137/4885CYP3A4 430/4885
US-20120108627-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION IL6, RPS6KA6, MTOR MAPT 3264/4885TSHR 3613/4885CYP3A4 1158/4885

“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.