SCHEMBL2567783

SCHEMBL2567783

Oc1nc(-n2cccn2)ncc1-c1cnn(Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
PIK3CD O00329 1/20 0.44
COMT P21964 1/20 0.43
MAPK1 P28482 1/20 0.43
PDK2 Q15119 1/20 0.41
FYN P06241 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL2565463 0.82 MAPT (0.46) L3MBTL1MAPK1ADORA2AADORA1
SCHEMBL2564487 0.81 GRM4 (0.47) MAPK1
SCHEMBL20532186 0.70 CREBBP (1.00) CREBBPL3MBTL1
SCHEMBL4784136 0.68 L3MBTL1 (0.60) CREBBPL3MBTL1PIK3CDMAPK1PDK2
SCHEMBL16691047 0.67 L3MBTL1 (0.49) CREBBPL3MBTL1PIK3CDCOMTMAPK1
SCHEMBL5486345 0.67 ADORA2A (0.40) L3MBTL1MAPK1ADORA2AADORA1
SCHEMBL17997766 0.67 NAPEPLD (0.39) L3MBTL1MAPK1
SCHEMBL2564568 0.66 MEN1 (0.47) L3MBTL1MAPK1
SCHEMBL2561587 0.66 KDM4E (0.48) L3MBTL1MAPK1
SCHEMBL10094644 0.66 CREBBP (0.69) CREBBPL3MBTL1PIK3CDPDK2ADORA2A

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 17 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
EP-2560655-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2013-02-27 EP 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
WO-2011133444-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
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-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
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
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 CREBBP 1435/4885L3MBTL1 1788/4885PIK3CD 3018/4885

“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.