SCHEMBL2564568

SCHEMBL2564568

O=C(CCc1ccccc1)Nc1cnc(-n2cccn2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM6B O15054 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 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
SCHEMBL2563451 0.94 MEN1 (0.49) MEN1KMT2AKDM6BKDM4DKDM4C
SCHEMBL2575187 0.84 ALKBH1 (0.41) RAB9AEGLN1LMNANPC1SMN1; SMN2
SCHEMBL2575673 0.83 EGLN1 (0.64) MEN1KMT2ARAB9AEGLN1LMNA
SCHEMBL2561587 0.83 KDM4E (0.48) MEN1KMT2AEGLN1LMNASMN1; SMN2
SCHEMBL2562105 0.81 DEGS1 (0.44) RAB9AHTTHSD17B10LMNANPC1
SCHEMBL2566665 0.81 EGLN1 (0.49) KDM6BKDM4DKDM4CRAB9AEGLN1
SCHEMBL17997762 0.81 LMNA (0.40) MEN1KMT2AEGLN1LMNAALDH1A1
SCHEMBL2566123 0.81 ALDH1A1 (0.51) MEN1KMT2ARAB9AHTTLMNA
SCHEMBL2568106 0.80 EGLN1 (0.67) MEN1KMT2AEGLN1
SCHEMBL2562671 0.80 MAPT (0.44) MEN1KMT2ARAB9AHTTLMNA

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 14 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-2011133444-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO 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 MEN1 4437/4885KMT2A 408/4885KDM6B 362/4885

“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.