SCHEMBL6133633

SCHEMBL6133633

CCCCOc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
KMT2A Q03164 1/20 0.43
SRC P12931 4/20 0.42
ABL1 P00519 2/20 0.42
CASR P41180 2/20 0.41
XDH P47989 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCK P08631 1/20 0.38
CYP19A1 P11511 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
HTR3A P46098 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
SCHEMBL6133451 0.97 HRH3 (0.45) HRH3KMT2ASRCABL1CASR
SCHEMBL6134091 0.96 HRH3 (0.45) HRH3KMT2ASRCABL1CASR
SCHEMBL6134257 0.92 KMT2A (0.44) HRH3KMT2ASRCABL1CASR
SCHEMBL6135983 0.91 HRH3 (0.44) HRH3KMT2ASRCABL1HCK
SCHEMBL6133991 0.90 SRC (0.43) HRH3SRCABL1CASRHCK
SCHEMBL6133584 0.89 ADORA2A (0.46) HRH3KMT2AADORA2AADORA1ADORA2B
SCHEMBL6134263 0.89 KMT2A (0.44) HRH3KMT2ASRCABL1XDH
SCHEMBL6134108 0.87 KMT2A (0.45) HRH3KMT2ASRCABL1CASR
SCHEMBL6133616 0.86 DHFR (0.43) HRH3SRCABL1ADORA2AADORA1
SCHEMBL6133313 0.85 ADORA2A (0.50) HRH3NPC1RAB9AADORA2AADORA1

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 HRH3 367/4885KMT2A 1769/4885SRC 2622/4885

“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.