SCHEMBL5400972

SCHEMBL5400972

COc1nc(Cl)c(C=O)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL31192804 0.88 CYP1A2 (0.42) CYP1A2MAPTALDH1A1KDM4ERECQL
SCHEMBL6335694 0.86 ALDH1A1 (0.37) CYP1A2MAPTALDH1A1LMNA
SCHEMBL31582903 0.81 LMNA (0.38) CYP1A2MAPTALDH1A1KDM4ERECQL
SCHEMBL6336215 0.77 ALDH1A1 (0.36) CYP1A2MAPTALDH1A1LMNA
SCHEMBL6335267 0.75 CYP1A2 (0.42) CYP1A2ALDH1A1
SCHEMBL6341505 0.74 CCNA2 (0.43) CYP1A2MAPTALDH1A1
SCHEMBL10739766 0.74 ALDH1A1 (0.37) MAPTALDH1A1
SCHEMBL6344025 0.74 CCNA2 (0.43) MAPTALDH1A1LMNA
SCHEMBL28832795 0.72 CYP1A2 (0.44) CYP1A2MAPTALDH1A1LMNA
SCHEMBL6014976 0.71 CYP1A2 (0.52) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734521-B1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2017-05-10 EP disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2734521-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS Novartis AG (CH) 2014-05-28 EP disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 US disclosed
WO-2013016197-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-01-31 WO disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1651611-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-05-03 EP disclosed
WO-2005021510-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 CYP1A2 940/4885MAPT 4166/4885ALDH1A1 2058/4885
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors CDK2, ERBB2, ABL1 CYP1A2 1249/4885MAPT 4312/4885ALDH1A1 2026/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 CYP1A2 933/4885MAPT 4178/4885ALDH1A1 1970/4885

“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.