SCHEMBL23908259

SCHEMBL23908259

Cc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
PDE2A O00408 4/20 0.42
EGLN1 Q9GZT9 10/20 0.42
MAP4K4 O95819 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
TNIK Q9UKE5 2/20 0.40
CYP2C9 P11712 1/20 0.40
FASN P49327 2/20 0.38

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
SCHEMBL22438817 0.91 EGLN1 (0.41) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL22438754 0.90 FASN (0.43) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL30070801 0.90 FASN (0.43) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL22438916 0.89 ROCK2 (0.47) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL22438887 0.89 CYP2C9 (0.53) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL22438850 0.87 EGLN1 (0.44) EGLN1MAP4K4MINK1TNIKFASN
SCHEMBL22685245 0.85 MAP4K4 (0.41) IDO1PDE2AEGLN1MAP4K4MINK1
SCHEMBL22438582 0.85 CXCR3 (0.43) PDE2AEGLN1MAP4K4MINK1TNIK
SCHEMBL22438857 0.85 EGLN1 (0.45) EGLN1MAP4K4MINK1TNIK
SCHEMBL22438858 0.84 MAP4K4 (0.45) PDE2AEGLN1MAP4K4MINK1TNIK

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 IDO1 1/4885PDE2A 783/4885EGLN1 2299/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885PDE2A 1080/4885EGLN1 2741/4885

“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.