SCHEMBL6134263

SCHEMBL6134263

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
XDH P47989 1/20 0.43
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SRC P12931 3/20 0.41
ABL1 P00519 1/20 0.41
MEN1 O00255 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 5/20 0.35
ADORA2A P29274 4/20 0.35
ADORA2B P29275 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35

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
SCHEMBL6134257 0.91 KMT2A (0.44) KMT2ALMNAHRH3SRCABL1
SCHEMBL6135983 0.90 HRH3 (0.44) KMT2AHRH3SRCABL1MAPT
SCHEMBL6133633 0.89 HRH3 (0.47) KMT2AXDHHRH3SRCABL1
SCHEMBL6134091 0.89 HRH3 (0.45) KMT2AXDHLMNAHRH3SRC
SCHEMBL6133595 0.89 KMT2A (0.58) KMT2ALMNAHRH3SRCABL1
SCHEMBL6133511 0.88 ADORA1 (0.43) XDHLMNASRCABL1MAPT
SCHEMBL6134496 0.88 KMT2A (0.45) KMT2ALMNAHRH3SRCABL1
SCHEMBL6133975 0.88 HRH3 (0.44) KMT2AHRH3MAPTADORA1ADORA2A
SCHEMBL6134108 0.88 KMT2A (0.45) KMT2AHRH3SRCABL1TP53
SCHEMBL6133451 0.86 HRH3 (0.45) KMT2AXDHHRH3SRCABL1

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 1769/4885XDH 141/4885LMNA 3549/4885

“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.