SCHEMBL1570177

SCHEMBL1570177

CNc1ccc(CO)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.48
NNMT P40261 1/20 0.47
CPB2 Q96IY4 1/20 0.44
APP P05067 5/20 0.38
TDO2 P48775 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNH2 Q12809 1/20 0.36
DEGS1 O15121 1/20 0.35
RAB9A P51151 2/20 0.34
YTHDC1 Q96MU7 1/20 0.34
FYN P06241 1/20 0.34
SMO Q99835 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 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
SCHEMBL20037450 0.84 HCAR3 (0.46) HCAR3NNMTCPB2APPTDO2
SCHEMBL12020150 0.81 HCAR3 (0.46) HCAR3NNMTCPB2APPCYP11B1
SCHEMBL31199068 0.79 GAA (0.40) DEGS1FYNIKBKETBK1MAPT
SCHEMBL479854 0.79 NNMT (0.47) HCAR3NNMTCPB2APPCYP11B1
SCHEMBL2571391 0.79 GAA (0.40) DEGS1FYNIKBKETBK1MAPT
SCHEMBL1570175 0.79 HCAR3 (0.48) HCAR3NNMTCPB2APPTDO2
SCHEMBL7940302 0.79 HCAR3 (0.44) HCAR3NNMTCPB2APPCYP11B1
SCHEMBL12881954 0.78 HCAR3 (0.43) HCAR3NNMTCPB2RAB9AHSD17B10
SCHEMBL3306300 0.77 PTK2 (0.59) TDO2DEGS1RAB9AFYNMAPT
SCHEMBL12867094 0.76 HCAR3 (0.42) HCAR3NNMTCPB2APPTDO2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524881-A 2011-09-08 JP claimed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP claimed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US claimed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO claimed
US-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION 2021-01-21 US disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MPI, MAG, MNS1 HCAR3 1151/4885NNMT 278/4885CPB2 3892/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 HCAR3 2707/4885NNMT 2060/4885CPB2 4424/4885
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP HCAR3 1395/4885NNMT 1369/4885CPB2 215/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP HCAR3 1395/4885NNMT 1369/4885CPB2 215/4885

“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.