SCHEMBL6135983

SCHEMBL6135983

CC(C)CCOc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 6/20 0.36
ADORA1 P30542 6/20 0.36
ADORA2B P29275 2/20 0.35
HTR3A P46098 1/20 0.34
MAPK1 P28482 1/20 0.34
ABL1 P00519 2/20 0.34
SRC P12931 2/20 0.34
HCK P08631 1/20 0.34

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
SCHEMBL6134091 0.91 HRH3 (0.45) HRH3KMT2AMAPTADORA2AADORA1
SCHEMBL6133633 0.91 HRH3 (0.47) HRH3KMT2AADORA2AADORA1ADORA2B
SCHEMBL6134496 0.90 KMT2A (0.45) HRH3KMT2AMAPTADORA2AADORA1
SCHEMBL6133975 0.90 HRH3 (0.44) HRH3KMT2AMAPTADORA2AADORA1
SCHEMBL6134263 0.90 KMT2A (0.44) HRH3KMT2AMAPTADORA2AADORA1
SCHEMBL6134257 0.89 KMT2A (0.44) HRH3KMT2AMAPTTDP1ADORA2A
SCHEMBL6134416 0.89 ADORA1 (0.42) HRH3MAPTADORA2AADORA1ADORA2B
SCHEMBL6133584 0.89 ADORA2A (0.46) HRH3KMT2AADORA2AADORA1ADORA2B
SCHEMBL6133451 0.89 HRH3 (0.45) HRH3KMT2AMAPTABL1SRC
SCHEMBL6133595 0.87 KMT2A (0.58) HRH3KMT2AMAPTADORA2AADORA1

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 1769/4885MAPT 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.