SCHEMBL5652811

SCHEMBL5652811

N#CCc1ccc(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
TSHR P16473 3/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PDE7A Q13946 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 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
SCHEMBL29748318 1.00 CYP3A4 (0.46) CYP3A4TSHRCA1CA2CYP2A6
SCHEMBL5040154 0.84 CYP3A4 (0.46) CYP3A4TSHRCA1CA2CYP2A6
SCHEMBL4002763 0.81 CYP3A4 (0.43) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL549082 0.79 CYP1A2 (0.57) CYP3A4CYP2A6CYP1A2MAPK1CYP2C19
SCHEMBL29457615 0.79 CYP1A2 (0.57) CYP3A4CYP2A6CYP1A2MAPK1CYP2C19
SCHEMBL352023 0.76 CYP3A4 (0.56) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL31175763 0.76 CYP3A4 (0.56) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL2385465 0.76 CSNK2A1 (0.40) TSHRCYP2A6ALDH1A1ALOX15HPGD
SCHEMBL4714190 0.76 ADRA2B (0.44) TSHRCYP2A6ALDH1A1HPGDCSNK2A1
SCHEMBL9458439 0.76 IDO1 (0.50) CYP3A4CYP2A6ALDH1A1HPGDCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ CYP3A4 2682/4885TSHR 3140/4885CA1 4363/4885

“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.