SCHEMBL25003510

SCHEMBL25003510

C=C(CCF)NC(=O)c1cc2ccnc(OC3CC3)c2n1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.35
GRM4 Q14833 8/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL25002664 0.81 DYRK1A (0.33)
SCHEMBL25002506 0.80 PHGDH (0.33) GRM4
SCHEMBL25003512 0.80 PLCG1 (0.31)
SCHEMBL25002464 0.79 LMNA (0.30)
SCHEMBL24896382 0.79 GRM4 (0.35) ACACBGRM4IRAK4
SCHEMBL24896464 0.79 KDM4E (0.39) ACACBGRM4
SCHEMBL25003332 0.79 HASPIN (0.31)
SCHEMBL25003585 0.79
SCHEMBL25003327 0.78 SETD2 (0.34) GRM4IRAK4
SCHEMBL30220512 0.77 MAOA (0.38) ACACB

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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-09 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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 ACACB 522/4885GRM4 461/4885IRAK4 2754/4885

“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.