SCHEMBL3450835

SCHEMBL3450835

CCOc1ccc(-c2cc(O)nc(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.54
ACHE P22303 1/20 0.54
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
DYRK1A Q13627 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
HRH2 P25021 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 5/20 0.47
HPGD P15428 3/20 0.47
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.45
AHR P35869 1/20 0.45

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
SCHEMBL3453296 0.83 DYRK1A (0.71) MAOBMAOAACHEALDH1A1NPC1
SCHEMBL3451463 0.82 HSP90AA1 (0.57) MAOBMAOAACHEALDH1A1NPC1
SCHEMBL6068375 0.77 LMNA (0.53) MAOANPC1RAB9ALMNAHPGD
SCHEMBL3450486 0.77 MEN1 (0.47) ALDH1A1NPC1RAB9ADYRK1AADORA3
SCHEMBL12888412 0.76 ADORA3 (0.54) ALDH1A1NPC1RAB9AADORA3SMN1; SMN2
SCHEMBL5742638 0.75 HRH2 (0.53) ACHEALDH1A1NPC1RAB9AMAPK1
SCHEMBL3451384 0.74 KDM4E (0.60) ALDH1A1NPC1RAB9ADYRK1ASMN1; SMN2
SCHEMBL18931741 0.74 KDM4E (0.58) ALDH1A1NPC1RAB9ADYRK1ASMN1; SMN2
SCHEMBL716998 0.73 ADORA2A (0.50) ALDH1A1NPC1RAB9ADYRK1ASMN1; SMN2
SCHEMBL3451102 0.73 ADORA2A (0.73) ALDH1A1NPC1RAB9AMAPK1ADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS MAOB 3128/4885MAOA 4133/4885ACHE 4743/4885

“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.