SCHEMBL566925

SCHEMBL566925

C[Si](C)(C)CCOCn1ccc2c1ncc1ccn(C3CCC(c4ccccc4C(=O)O)CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.38
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
RORC P51449 1/20 0.31
HRH2 P25021 3/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
MGLL Q99685 2/20 0.31
MLYCD O95822 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
AURKA O14965 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL566926 1.00 DGAT1 (0.38) DGAT1CAMKK1CAMKK2RORCHRH2
SCHEMBL10099309 0.83 CHRNA7 (0.36) DGAT1
SCHEMBL565566 0.83 GRM2 (0.35) DGAT1
SCHEMBL566635 0.83 GRM2 (0.35) DGAT1
SCHEMBL10099139 0.79 SCN9A (0.42)
SCHEMBL567231 0.79 DGAT1 (0.32) DGAT1
SCHEMBL10099143 0.77 SCN9A (0.40)
SCHEMBL10099319 0.76 DGAT1 (0.31) DGAT1
SCHEMBL630837 0.75 MTOR (0.33)
SCHEMBL10099138 0.75 JAK2 (0.33) DGAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 DGAT1 4419/4885CAMKK1 1064/4885CAMKK2 1223/4885

“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.