SCHEMBL5773315

SCHEMBL5773315

CCOC(=O)c1[nH]c(-c2cccc(C)c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 5/20 0.50
GAA P10253 4/20 0.50
NPC1 O15118 3/20 0.50
TP53 P04637 1/20 0.50
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.42
TUBB4A P04350 1/20 0.42

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
SCHEMBL5775657 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5772744 0.88 ALOX5 (0.50) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5773864 0.85 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL2748256 0.82 LMNA (0.54) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5771719 0.82 SLC6A2 (0.48) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5774019 0.81 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL21264058 0.81 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5771002 0.81 GCGR (0.55) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL2748270 0.80 HPGD (0.56) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL1681378 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934535-B1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP disclosed
EP-2934535-B1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-20150329548-A1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150329548-A1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150329548-A1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
EP-2934535-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014100071-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
WO-2014100071-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 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 (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-20150329548-A1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS PHLPP2, DDX21, TP53 ALDH1A1 2444/4885SMN1; SMN2 2008/4885MAPT 2132/4885

“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.