SCHEMBL29404609

SCHEMBL29404609

Nc1cccc(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 17/20 0.47
MAPT P10636 1/20 0.46
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 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
SCHEMBL21887465 1.00 MAP3K5 (0.47) MAP3K5MAPTDDB1CRBN
SCHEMBL25316841 0.82 MAP3K5 (0.47) MAP3K5DDB1CRBN
SCHEMBL30352583 0.82 MAP3K5 (0.47) MAP3K5DDB1CRBN
SCHEMBL28648093 0.80 MAP3K5 (0.52) MAP3K5
SCHEMBL28848714 0.79 MAP3K5 (0.42) MAP3K5
SCHEMBL28848739 0.79 MAP3K5 (0.38) MAP3K5
SCHEMBL29949305 0.79 MAP3K5 (0.38) MAP3K5
SCHEMBL23510668 0.78 MAP3K5 (0.45) MAP3K5
SCHEMBL23510667 0.78 MAP3K5 (0.46) MAP3K5
SCHEMBL27959304 0.77 MAP3K5 (0.52) MAP3K5MAPTDDB1CRBN

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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 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 (2 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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MAP3K5 2258/4885MAPT 4394/4885DDB1 2363/4885
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MAP3K5 2258/4885MAPT 4394/4885DDB1 2363/4885

“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.