SCHEMBL6133975

SCHEMBL6133975

CC(C)n1nc(-c2cnc(N)nc2-c2ccc(OCCF)cc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KMT2A Q03164 1/20 0.42
ADORA1 P30542 7/20 0.38
ADORA2A P29274 6/20 0.38
MAPT P10636 1/20 0.35
ADORA2B P29275 2/20 0.35
APP P05067 2/20 0.35
TSPO P30536 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 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) HRH3KMT2AADORA1ADORA2AMAPT
SCHEMBL6133633 0.91 HRH3 (0.47) HRH3KMT2AADORA1ADORA2AADORA2B
SCHEMBL6135983 0.90 HRH3 (0.44) HRH3KMT2AADORA1ADORA2AMAPT
SCHEMBL6134496 0.90 KMT2A (0.45) HRH3KMT2AADORA1ADORA2AMAPT
SCHEMBL6134257 0.89 KMT2A (0.44) HRH3KMT2AADORA1ADORA2AMAPT
SCHEMBL6133860 0.89 ADORA1 (0.42) HRH3ADORA1ADORA2AMAPTADORA2B
SCHEMBL6133451 0.89 HRH3 (0.45) HRH3KMT2AMAPT
SCHEMBL6133584 0.89 ADORA2A (0.46) HRH3KMT2AADORA1ADORA2AADORA2B
SCHEMBL6134263 0.88 KMT2A (0.44) HRH3KMT2AADORA1ADORA2AMAPT
SCHEMBL6133595 0.87 KMT2A (0.58) HRH3KMT2AADORA1ADORA2AMAPT

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 1769/4885ADORA1 3/4885

“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.