SCHEMBL2568043

SCHEMBL2568043

CC(C)NC(=O)Cc1cnc(-n2cccn2)nc1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGLN1 Q9GZT9 7/20 0.34
MAPK1 P28482 1/20 0.34
GRIN2B Q13224 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
VHL P40337 1/20 0.32

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
SCHEMBL12287099 0.87 ADORA2A (0.38) ADORA2AADORA1KDM4EALDH1A1EGLN1
SCHEMBL2561403 0.81 LMNA (0.40) ADORA2AADORA1KDM4EALDH1A1EGLN1
SCHEMBL2566114 0.81 HPGD (0.41) ADORA2AALDH1A1CHRM1KMT2AMEN1
SCHEMBL12286883 0.80 LMNA (0.36) ADORA2AADORA1KDM4EALDH1A1EGLN1
SCHEMBL2564666 0.78 MEN1 (0.41) KDM4EALDH1A1SMN1; SMN2EGLN1KMT2A
SCHEMBL2574725 0.76 ERCC1 (0.42) EGLN1MAPK1
SCHEMBL2579592 0.70 MAPT (0.52) KDM4EALDH1A1SMN1; SMN2EGLN1KMT2A
SCHEMBL2566278 0.70 EGLN1 (0.43) KDM4EALDH1A1SMN1; SMN2EGLN1MAPK1
SCHEMBL30525594 0.70 EGLN1 (0.39) KDM4EALDH1A1SMN1; SMN2TDP1EGLN1
SCHEMBL29049498 0.70 EGLN1 (0.39) KDM4EALDH1A1SMN1; SMN2TDP1EGLN1

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 13 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
EP-2560655-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2013-02-27 EP 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-2011133444-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 ADORA2A 874/4885ADORA1 815/4885KDM4E 266/4885

“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.