SCHEMBL6133616

SCHEMBL6133616

CCCCCCOc1cccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6133991 0.96 SRC (0.43) DHFRADORA2AADORA1SRCABL1
SCHEMBL6133797 0.94 ADORA1 (0.43) DHFRADORA2AADORA1SRCABL1
SCHEMBL6133501 0.90 ADORA1 (0.41) DHFRADORA2AADORA1SRCABL1
SCHEMBL6135106 0.90 LMNA (0.45) DHFRADORA2AADORA1SRCABL1
SCHEMBL6135205 0.89 ADORA1 (0.44) ADORA2AADORA1SRCABL1HRH3
SCHEMBL6133860 0.89 ADORA1 (0.42) ADORA2AADORA1SRCABL1HRH3
SCHEMBL6134416 0.89 ADORA1 (0.42) ADORA2AADORA1SRCABL1HRH3
SCHEMBL6133451 0.89 HRH3 (0.45) SRCABL1HRH3
SCHEMBL6133628 0.88 ADORA2A (0.47) ADORA2AADORA1
SCHEMBL6133511 0.87 ADORA1 (0.43) ADORA2AADORA1SRCABL1

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 DHFR 146/4885ADORA2A 2/4885ADORA1 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.