SCHEMBL2566342

SCHEMBL2566342

O=C(Nc1cnc(-c2ccccn2)nc1O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
POLB P06746 3/20 0.42
CSNK1D P48730 1/20 0.41
HPGDS O60760 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
TMIGD3 P0DMS9 1/20 0.40
MITF O75030 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
KDM4A O75164 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
SCHEMBL20538355 0.81 KDM4E (0.39) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14820834 0.80 KMT2A (0.42) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14820989 0.78 KMT2A (0.54) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL20538371 0.78 POLB (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL14809612 0.77 KMT2A (0.52) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14812313 0.76 KMT2A (0.51) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL2566239 0.75 NPC1 (0.47) KMT2ASMN1; SMN2LMNATDP1POLB
SCHEMBL14811918 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL15952757 0.73 KMT2A (0.48) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14820835 0.73 KMT2A (0.48) ALDH1A1KDM4EKMT2AGAAMEN1

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
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
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 ALDH1A1 586/4885KDM4E 266/4885KMT2A 408/4885

“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.