SCHEMBL798009

SCHEMBL798009

CCOC(=O)c1cnc[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
NR1H2 P55055 1/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13304849 0.83 KDM4E (0.38) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL10194200 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL1720771 0.77 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL30625419 0.77 KDM4E (0.45) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL12478684 0.74 KMT2A (0.51) KMT2AALDH1A1LMNAKDM4EGAA
SCHEMBL1907083 0.74 TSHR (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1014580 0.73 KDM4E (0.58) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL10466216 0.73 TSHR (0.53) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL798220 0.72 NAPRT (0.45) ALDH1A1MAPTKDM4ERAB9ATSHR
SCHEMBL9808548 0.72 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
EP-2373636-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2011-10-12 EP disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 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 (2 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-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 MEN1 667/4885KMT2A 1001/4885ALDH1A1 2184/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET MEN1 755/4885KMT2A 1470/4885ALDH1A1 58/4885

“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.