SCHEMBL6133381

SCHEMBL6133381

Nc1ncc(-c2ccc(=O)n(Cc3ccccc3)n2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ADORA1 P30542 10/20 0.46
ADORA2A P29274 6/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HDAC1 Q13547 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MET P08581 2/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6133923 0.87 ADORA1 (0.47) ADORA1ADORA2A
SCHEMBL6134167 0.85 ADORA1 (0.45) ADORA1ADORA2A
SCHEMBL7257263 0.82 ADORA1 (0.45) ADORA1ADORA2AMAPTNPSR1
SCHEMBL6133471 0.81 ADORA1 (0.50) ADORA1ADORA2AKMT2A
SCHEMBL6538489 0.81 MEN1 (0.49) POLBSMN1; SMN2ADORA2APDE4APDE4B
SCHEMBL6134324 0.78 ADORA1 (0.47) ADORA1ADORA2AKMT2A
SCHEMBL11140135 0.77 POLB (0.74) POLBSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL6133393 0.76 ADORA1 (0.48) ADORA1ADORA2AKMT2AMAPTNPSR1
SCHEMBL6133164 0.75 ALDH1A1 (0.50) POLBSMN1; SMN2ADORA2APDE4APDE4B
SCHEMBL6133912 0.74 ADORA1 (0.44) ADORA1ADORA2A

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 POLB 565/4885SMN1; SMN2 366/4885ADORA1 3/4885

“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.