SCHEMBL31109347

SCHEMBL31109347

Cc1ccc(C2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.37
TLR9 Q9NR96 6/20 0.36
TLR8 Q9NR97 6/20 0.36
TLR7 Q9NYK1 6/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
IDO1 P14902 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
SMO Q99835 1/20 0.34

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
SCHEMBL23780055 1.00 UGCG (0.37) UGCGTLR9TLR8TLR7MAPT
SCHEMBL23780157 0.93 UGCG (0.43) UGCGTLR9TLR8TLR7L3MBTL1
SCHEMBL31109442 0.93 GRIN2B (0.40) UGCGTLR9TLR8TLR7IDO1
SCHEMBL31109351 0.93 UGCG (0.39) UGCGTLR9TLR8TLR7L3MBTL1
SCHEMBL31109358 0.93 ALDH1A1 (0.36) UGCGTLR9TLR8TLR7L3MBTL1
SCHEMBL23780068 0.93 GRIN2B (0.40) UGCGTLR9TLR8TLR7IDO1
SCHEMBL23780199 0.93 UGCG (0.39) UGCGTLR9TLR8TLR7L3MBTL1
SCHEMBL23780171 0.93 ALDH1A1 (0.36) UGCGTLR9TLR8TLR7L3MBTL1
SCHEMBL23780238 0.92 KMT2A (0.38) UGCGTLR9TLR8TLR7TP53
SCHEMBL23780062 0.91 HSD17B10 (0.39) TLR9TLR8TLR7IDO1KMT2A

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
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP claimed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 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-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU UGCG 2405/4885TLR9 2707/4885TLR8 2399/4885

“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.