SCHEMBL6134094

SCHEMBL6134094

CSc1ncc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 7/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.37
ADORA2A P29274 1/20 0.36
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
TP53 P04637 2/20 0.36
MERTK Q12866 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
SCHEMBL6134324 0.84 ADORA1 (0.47) KMT2AADORA2A
SCHEMBL6135183 0.82 MERTK (0.42) ADORA2ATP53MERTK
SCHEMBL6133485 0.82 ALDH1A1 (0.44) NPSR1MEN1KMT2ATP53MERTK
SCHEMBL6133535 0.80 MERTK (0.34) ADORA2ATP53MERTK
SCHEMBL6134812 0.80 MERTK (0.56) MEN1KMT2AMERTK
SCHEMBL6133753 0.79 TP53 (0.38) KMT2AMAPTADORA2ATP53MERTK
SCHEMBL6133749 0.78 TP53 (0.44) RXFP1TP53MERTK
SCHEMBL6134592 0.78 ADORA1 (0.47) THRBMEN1KMT2AMAPTADORA2A
SCHEMBL6134310 0.77 GAA (0.45) RXFP1MAPTADORA2ATP53MERTK
SCHEMBL6134738 0.77 ADORA3 (0.39) MEN1KMT2AMAPTADORA2ATP53

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 NTRK1 4294/4885THRB 1570/4885RXFP1 1540/4885

“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.