SCHEMBL2564666

SCHEMBL2564666

O=C(Cc1cnc(-n2cccn2)nc1O)Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
POLB P06746 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
F10 P00742 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2568896 0.81 EGLN1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12287099 0.81 ADORA2A (0.38) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2566278 0.78 EGLN1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AEGLN1
SCHEMBL2568043 0.78 ADORA2A (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2561403 0.78 LMNA (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12286883 0.77 LMNA (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2566114 0.75 HPGD (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2566329 0.75 RAB9A (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3409246 0.74 EGLN1 (0.64) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL2567761 0.74 EGLN1 (0.48) MEN1KMT2AALDH1A1LMNAEGLN1

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 MEN1 4437/4885KMT2A 408/4885SMN1; SMN2 3526/4885

“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.