SCHEMBL2575184

SCHEMBL2575184

O=C(NCCc1ccccc1)Oc1cnc(-n2cccn2)nc1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
TAAR1 Q96RJ0 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALKBH1 Q13686 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CES2 O00748 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
SCHEMBL2573169 0.83 NCEH1 (0.41)
SCHEMBL14575605 0.82 BCL6 (0.35) EGLN1KDM4E
SCHEMBL2575235 0.82 HSP90AA1 (0.46) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL2560122 0.78 PORCN (0.42) EGLN1KDM4EMEN1KMT2A
SCHEMBL2566123 0.76 ALDH1A1 (0.51) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL2564810 0.76 EGLN1 (0.36) HPGDEGLN1KDM4EMEN1KMT2A
SCHEMBL16005608 0.76 EGLN1 (0.37) HPGDEGLN1KDM4EMEN1KMT2A
SCHEMBL2575187 0.76 ALKBH1 (0.41) RAB9ANPC1SMN1; SMN2EGLN1ALKBH1
SCHEMBL2572995 0.76 EGLN1 (0.41) RAB9ANPC1HPGDSMN1; SMN2EGLN1
SCHEMBL2564568 0.74 MEN1 (0.47) RAB9ANPC1GAAHPGDSMN1; SMN2

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 11 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
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-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 RAB9A 4227/4885NPC1 3276/4885TAAR1 4326/4885

“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.