SCHEMBL6134496

SCHEMBL6134496

COCCOc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
ADORA1 P30542 7/20 0.36
ADORA2A P29274 6/20 0.36
CHEK2 O96017 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
PTK2B Q14289 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ADORA2B P29275 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
LMNA P02545 1/20 0.35
CDK4 P11802 1/20 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
SCHEMBL6133633 0.91 HRH3 (0.47) KMT2AHRH3ADORA1ADORA2AADORA2B
SCHEMBL6134091 0.91 HRH3 (0.45) KMT2AHRH3ADORA1ADORA2AMAPT
SCHEMBL6135983 0.90 HRH3 (0.44) KMT2AHRH3ADORA1ADORA2AMAPT
SCHEMBL6133975 0.90 HRH3 (0.44) KMT2AHRH3ADORA1ADORA2AMAPT
SCHEMBL6134257 0.89 KMT2A (0.44) KMT2AHRH3ADORA1ADORA2AMAPT
SCHEMBL6133595 0.89 KMT2A (0.58) KMT2AHRH3ADORA1ADORA2AMAPT
SCHEMBL6135205 0.89 ADORA1 (0.44) HRH3ADORA1ADORA2ACHEK2MAPT
SCHEMBL6133451 0.89 HRH3 (0.45) KMT2AHRH3MAPTHTTABL1
SCHEMBL6133584 0.89 ADORA2A (0.46) KMT2AHRH3ADORA1ADORA2AADORA2B
SCHEMBL6134263 0.88 KMT2A (0.44) KMT2AHRH3ADORA1ADORA2AMAPT

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 1769/4885HRH3 367/4885ADORA1 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.