SCHEMBL1010203

SCHEMBL1010203

NC(=O)c1ccc(-c2cnco2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.62
NPC1 O15118 4/20 0.55
PKM P14618 3/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
NOTUM Q6P988 1/20 0.55
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PTK2 Q05397 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP1 P09874 1/20 0.51
KEAP1 Q14145 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL1010247 0.84 PKM (0.59) MYCNPC1PKMKDM4ELMNA
SCHEMBL2422300 0.82 NOTUM (0.59) MYCNPC1PKMKDM4ELMNA
SCHEMBL2431912 0.82 PKM (0.59) MYCNPC1PKMKDM4ELMNA
SCHEMBL3076266 0.81 MAP4K4 (0.61) MYCNPC1PKMKDM4ELMNA
SCHEMBL10768177 0.80 PKM (0.78) NPC1PKMKDM4ELMNAGAA
SCHEMBL64372 0.78 PKM (0.55) NPC1PKMKDM4ELMNAGAA
SCHEMBL2434096 0.78 GAA (0.54) MYCNPC1PKMKDM4ELMNA
SCHEMBL5033854 0.77 MYC (0.46) MYCNPC1PKMKDM4ELMNA
SCHEMBL5775952 0.77 NPC1 (0.49) MYCNPC1PKMKDM4ELMNA
SCHEMBL2449219 0.75 LMNA (0.55) NPC1PKMKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
WO-2014079850-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-06-15 US disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed
EP-1537116-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-06-08 EP disclosed
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-10-21 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
WO-2004022561-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2004-03-18 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 (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-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A MYC 773/4885NPC1 3835/4885PKM 438/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 MYC 3863/4885NPC1 1193/4885PKM 885/4885
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 MYC 764/4885NPC1 4175/4885PKM 552/4885

“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.