SCHEMBL6134008

SCHEMBL6134008

CC(C)n1nc(-c2c(NCc3ccco3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 7/20 0.40
HSD17B10 Q99714 5/20 0.40
MEN1 O00255 5/20 0.40
TSHR P16473 4/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 7/20 0.39
NPSR1 Q6W5P4 4/20 0.39
F2 P00734 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
LMNA P02545 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL6133703 0.87 GHSR (0.41) ADORA2AADORA1NPSR1
SCHEMBL6133911 0.85 NLRP3 (0.45) ADORA2AADORA1POLB
SCHEMBL5147952 0.85 KDM4E (0.42) ADORA2AADORA1HPGDMAPK1KMT2A
SCHEMBL6133364 0.84 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL6134039 0.83 TLR8 (0.42) ADORA2AADORA1POLB
SCHEMBL6134076 0.83 TLR8 (0.42) ADORA2AADORA1
SCHEMBL6133960 0.83 ADORA2A (0.47) ADORA2AADORA1KMT2AMEN1TSHR
SCHEMBL6134709 0.82 ADORA2A (0.38) ADORA2AADORA1HPGDKMT2AMEN1
SCHEMBL6135237 0.82 ADORA2A (0.42) ADORA2AADORA1POLB
SCHEMBL6133674 0.81 KDM4E (0.38) ADORA2AADORA1HPGDTSHRKDM4E

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 3/4885HPGD 521/4885

“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.