SCHEMBL6133854

SCHEMBL6133854

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ADORA1 P30542 9/20 0.44
ADORA2A P29274 7/20 0.44
ALPL P05186 1/20 0.42
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 4/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAP4K4 O95819 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6134411 0.87 LMNA (0.56) LMNAHTTGPR55ADORA1ADORA2A
SCHEMBL6133777 0.87 ADORA1 (0.41) LMNAADORA1ADORA2AKMT2AMEN1
SCHEMBL6133302 0.87 CYP1A2 (0.54) ADORA1ADORA2AKMT2A
SCHEMBL6133477 0.86 ADORA1 (0.55) LMNAADORA1ADORA2AKMT2AMEN1
SCHEMBL6133973 0.86 ADORA1 (0.55) LMNAADORA1ADORA2AKMT2AMEN1
SCHEMBL6134045 0.84 RPS6KA3 (0.44) LMNAADORA1ADORA2AKMT2AMEN1
SCHEMBL6133724 0.84 KMT2A (0.64) LMNAHTTADORA1ADORA2AKMT2A
SCHEMBL6133920 0.81 ADORA1 (0.42) LMNAADORA1ADORA2AKMT2AMEN1
SCHEMBL6133893 0.81 FGFR1 (0.43) ADORA1ADORA2A
SCHEMBL6133937 0.80 ADORA2A (0.39) LMNAADORA1ADORA2AKMT2AMEN1

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 LMNA 3549/4885HTT 184/4885GPR55 484/4885

“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.