SCHEMBL3450486

SCHEMBL3450486

Cc1ccc(-c2cc(O)nc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
DYRK1A Q13627 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK10 P53779 1/20 0.44
AGTR1 P30556 1/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3451384 0.81 KDM4E (0.60) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL18931741 0.81 KDM4E (0.58) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL716998 0.81 ADORA2A (0.50) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL3451102 0.81 ADORA2A (0.73) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL7376864 0.81 ADORA3 (0.46) MEN1KMT2AADORA1MAPTALDH1A1
SCHEMBL10967059 0.81 MAPT (0.46) MEN1KMT2AADORA1MAPTALDH1A1
SCHEMBL3451442 0.81 ADORA3 (0.44) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL3453296 0.81 DYRK1A (0.71) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL3451558 0.78 HSP90AB1 (0.68) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL3450835 0.77 MAOB (0.54) KMT2AMAPTALDH1A1KDM4ELMNA

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 MEN1 4470/4885KMT2A 4623/4885ADORA2A 1490/4885

“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.