SCHEMBL6134444

SCHEMBL6134444

CC(C)n1nc(-c2c(-c3ccccc3)nc(N)nc2N2CCN(C)CC2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.51
ADORA1 P30542 6/20 0.51
HRH4 Q9H3N8 9/20 0.44
HTR3A P46098 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL6133299 0.92 ADORA2A (0.46) ADORA2AADORA1HRH3
SCHEMBL6133846 0.91 ADORA2A (0.45) ADORA2AADORA1HRH3
SCHEMBL6133573 0.89 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL6133520 0.89 HRH4 (0.43) ADORA2AADORA1HRH4HRH3
SCHEMBL5149109 0.83 HRH4 (0.43) ADORA2AADORA1HRH4HTR3A
SCHEMBL6134544 0.82 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL6133734 0.81 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134523 0.81 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134022 0.81 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134625 0.80 LMNA (0.44) ADORA2AADORA1

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 ADORA2A 2/4885ADORA1 3/4885HRH4 299/4885

“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.