SCHEMBL6133973

SCHEMBL6133973

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccncc2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.55
ADORA2A P29274 7/20 0.55
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PIM1 P11309 1/20 0.35
ALOX5AP P20292 1/20 0.35

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 0.88 CYP1A2 (0.54) ADORA1ADORA2AKMT2ACYP1A2
SCHEMBL6133337 0.86 HSP90AA1 (0.48) ADORA1ADORA2ACYP1A2CDK5CDK5R1
SCHEMBL6133777 0.86 ADORA1 (0.41) ADORA1ADORA2AKMT2ACYP1A2PDE3B
SCHEMBL6133854 0.86 LMNA (0.46) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6134411 0.86 LMNA (0.56) ADORA1ADORA2AKMT2ACYP1A2PDE3B
SCHEMBL6133787 0.84 MAPKAPK2 (0.39) ADORA1ADORA2AKMT2ACYP1A2CDK5
SCHEMBL6133724 0.83 KMT2A (0.64) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133920 0.82 ADORA1 (0.42) ADORA1ADORA2AKMT2ACYP1A2PDE3B
SCHEMBL6133937 0.81 ADORA2A (0.39) ADORA1ADORA2AKMT2ACYP1A2PDE3B
SCHEMBL6134045 0.80 RPS6KA3 (0.44) ADORA1ADORA2AKMT2ACYP1A2PDE3B

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 ADORA1 3/4885ADORA2A 2/4885KMT2A 1769/4885

“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.