SCHEMBL23908250

SCHEMBL23908250

CC(O)c1ccc(-c2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
MINK1 Q8N4C8 2/20 0.46
TNIK Q9UKE5 2/20 0.46
DEGS1 O15121 1/20 0.42
XDH P47989 1/20 0.41
EGLN1 Q9GZT9 8/20 0.41
CXCR3 P49682 1/20 0.41
FASN P49327 2/20 0.37
NAAA Q02083 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HSD11B1 P28845 3/20 0.36

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
SCHEMBL22439019 0.89 DEGS1 (0.43) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL30070869 0.88 DEGS1 (0.40) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL22439086 0.88 DEGS1 (0.40) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL22439054 0.85 DEGS1 (0.46) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL22438882 0.85 MAP4K4 (0.46) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL23908262 0.84 EGLN1 (0.50) MAP4K4MINK1TNIKDEGS1EGLN1
SCHEMBL22438845 0.82 CXCR3 (0.42) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL22439074 0.82 CXCR3 (0.43) MAP4K4MINK1TNIKDEGS1EGLN1
SCHEMBL22439274 0.82 MAP4K4 (0.43) MAP4K4MINK1TNIKDEGS1XDH
SCHEMBL22438582 0.81 CXCR3 (0.43) MAP4K4MINK1TNIKDEGS1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP claimed
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 US claimed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 US claimed
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 US disclosed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 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-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU MAP4K4 3490/4885MINK1 946/4885TNIK 2300/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT MAP4K4 3403/4885MINK1 1312/4885TNIK 1604/4885

“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.