SCHEMBL6133724

SCHEMBL6133724

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
LMNA P02545 3/20 0.59
MAPT P10636 6/20 0.49
HTT P42858 3/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
MAPK10 P53779 2/20 0.49
MAPK1 P28482 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ADORA1 P30542 4/20 0.47
ADORA2A P29274 2/20 0.47
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PDE10A Q9Y233 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL6134411 0.86 LMNA (0.56) KMT2ALMNAHTTADORA1ADORA2A
SCHEMBL6134308 0.86 ADORA2A (0.61) KMT2ALMNAMAPTHTTTP53
SCHEMBL6133656 0.85 PDE4A (0.62) KMT2ALMNAMAPTTP53TSHR
SCHEMBL6133854 0.84 LMNA (0.46) KMT2ALMNAHTTADORA1ADORA2A
SCHEMBL6133777 0.84 ADORA1 (0.41) KMT2ALMNAMAPTMAPK1ADORA1
SCHEMBL6133302 0.84 CYP1A2 (0.54) KMT2AADORA1ADORA2A
SCHEMBL6133973 0.83 ADORA1 (0.55) KMT2ALMNAADORA1ADORA2AMEN1
SCHEMBL6133660 0.82 PDE4A (0.49) KMT2ALMNAMAPTTP53TSHR
SCHEMBL6134067 0.80 ADORA2A (0.49) LMNAMAPTADORA1ADORA2ANPSR1
SCHEMBL6134714 0.80 PDE4A (0.42) KMT2ALMNAMAPTTP53TSHR

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 KMT2A 1769/4885LMNA 3549/4885MAPT 1622/4885

“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.