SCHEMBL6133989

SCHEMBL6133989

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
MAPK10 P53779 2/20 0.48
MAPK1 P28482 1/20 0.48
PTK2B Q14289 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ADORA1 P30542 5/20 0.46
ADORA2A P29274 3/20 0.46
LMNA P02545 2/20 0.44
PDE10A Q9Y233 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL6133620 0.87 ADORA1 (0.52) KMT2AMAPTHTTTP53TSHR
SCHEMBL6134537 0.87 RPS6KA3 (0.48) KMT2AHTTADORA1ADORA2ALMNA
SCHEMBL6133447 0.87 ADORA2A (0.60) KMT2AMAPTHTTTP53TSHR
SCHEMBL6134360 0.86 LMNA (0.47) KMT2AHTTADORA1ADORA2ALMNA
SCHEMBL6133471 0.85 ADORA1 (0.50) KMT2AADORA1ADORA2AADORA2B
SCHEMBL6133595 0.85 KMT2A (0.58) KMT2AMAPTHTTTP53TSHR
SCHEMBL6133388 0.85 ADORA1 (0.57) KMT2AMAPTMAPK1ADORA1ADORA2A
SCHEMBL6133837 0.84 ALDH1A1 (0.53) KMT2ATP53TSHRMAPK1LMNA
SCHEMBL6134829 0.83 ADORA1 (0.46) KMT2AMAPTMAPK1ADORA1ADORA2A
SCHEMBL6134043 0.81 ADORA1 (0.53) KMT2AADORA1ADORA2AADORA2BNPC1

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 1769/4885MAPT 1622/4885HTT 184/4885

“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.