SCHEMBL6133520

SCHEMBL6133520

CC(C)n1nc(-c2c(-c3ccccc3)nc(N)nc2N2CCNCC2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.43
ADORA2A P29274 8/20 0.43
ADORA1 P30542 8/20 0.43
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL6133299 0.91 ADORA2A (0.46) ADORA2AADORA1HRH3
SCHEMBL6133846 0.90 ADORA2A (0.45) ADORA2AADORA1ALDH1A1HRH3
SCHEMBL6134444 0.89 ADORA2A (0.51) HRH4ADORA2AADORA1HRH3
SCHEMBL6133573 0.88 ADORA2A (0.50) ADORA2AADORA1ALDH1A1CASP1HSD17B10
SCHEMBL5150733 0.83 ATR (0.37) HRH4ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL6134544 0.81 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL6133734 0.80 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134523 0.80 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134022 0.80 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6134625 0.79 LMNA (0.44) ADORA2AADORA1ALDH1A1

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 HRH4 299/4885ADORA2A 2/4885ADORA1 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.