SCHEMBL6133483

SCHEMBL6133483

CNc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GPR119 Q8TDV5 1/20 0.41
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NUDT1 P36639 1/20 0.40
ADORA1 P30542 4/20 0.39
ADORA2A P29274 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 2/20 0.36
AKT1 P31749 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
SCHEMBL6133302 0.81 CYP1A2 (0.54) CYP1A2GPR119ADORA1ADORA2AKMT2A
SCHEMBL6134143 0.80 CYP1A2 (0.50) CYP1A2GPR119NUDT1LMNAMEN1
SCHEMBL5217883 0.78 NUDT1 (0.53) NUDT1ADORA1ADORA2ARPS6KA3TDP1
SCHEMBL6135183 0.74 MERTK (0.42) NUDT1ADORA1ADORA2ARPS6KA3MERTK
SCHEMBL5810333 0.73 CYP1A2 (0.51) CYP1A2GPR119ADORA1ADORA2ALMNA
SCHEMBL6133449 0.73 ADORA1 (0.41) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL6539289 0.72 CYP1A2 (0.60) CYP1A2GPR119LMNAMEN1KMT2A
SCHEMBL5811732 0.71 CYP1A2 (0.55) CYP1A2GPR119MAPK14RPS6KA3LMNA
SCHEMBL5259104 0.71 CYP1A2 (0.64) CYP1A2GPR119LMNAMEN1KMT2A
SCHEMBL6134411 0.71 LMNA (0.56) CYP1A2ADORA1ADORA2ARPS6KA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 CYP1A2 1170/4885GPR119 600/4885MAPK13 4558/4885

“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.