SCHEMBL2572995

SCHEMBL2572995

O=C(Nc1ccc2ccccc2c1)Oc1cnc(-n2cccn2)nc1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
ROCK2 O75116 1/20 0.37
KDR P35968 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2575235 0.88 HSP90AA1 (0.46) EGLN1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2560122 0.87 PORCN (0.42) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL2561208 0.86 MEN1 (0.53) EGLN1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2575815 0.80 KDM4E (0.47) EGLN1NPC1RAB9AMEN1KMT2A
SCHEMBL2564810 0.76 EGLN1 (0.36) EGLN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2575184 0.76 RAB9A (0.41) EGLN1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2575239 0.75 TRPV1 (0.40) EGLN1MEN1KMT2AMAPTUSP2
SCHEMBL16005608 0.74 EGLN1 (0.37) EGLN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2575436 0.74 ADORA2A (0.42) EGLN1RAB9AALDH1A1
SCHEMBL2575729 0.73 EPHX1 (0.41) EGLN1RAB9AALDH1A1

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 8 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
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-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
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 EGLN1 7/4885NPC1 3276/4885RAB9A 4227/4885

“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.