SCHEMBL2579592

SCHEMBL2579592

COc1ccccc1CC(=O)Nc1cnc(-n2cccn2)nc1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2566278 0.85 EGLN1 (0.43) KDM4EALDH1A1HSD17B10EGLN1SMN1; SMN2
SCHEMBL2560405 0.84 ALDH1A1 (0.48) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL2575724 0.83 TP53 (0.50) MEN1KMT2AKDM4EALDH1A1EGLN1
SCHEMBL2576501 0.83 KDM4E (0.53) MAPTTSHRMEN1KMT2AGAA
SCHEMBL2566952 0.82 ANO1 (0.42) LMNAEGLN1
SCHEMBL2574143 0.81 POLB (0.53) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL2566665 0.79 EGLN1 (0.49) MAPTGAAALDH1A1EGLN1SMN1; SMN2
SCHEMBL2575673 0.79 EGLN1 (0.64) MEN1KMT2ALMNAEGLN1
SCHEMBL2568106 0.78 EGLN1 (0.67) MEN1KMT2AEGLN1
SCHEMBL2568896 0.78 EGLN1 (0.50) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP claimed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US claimed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US claimed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO claimed
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US disclosed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US disclosed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO disclosed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 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-20130018053-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 MAPT 4475/4885TSHR 2794/4885MEN1 4437/4885

“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.