SCHEMBL22439083

SCHEMBL22439083

N#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C5CC5)nc4)cc3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAP4K4 O95819 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
TNIK Q9UKE5 2/20 0.40
EGLN1 Q9GZT9 11/20 0.40
CXCR3 P49682 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE2A O00408 1/20 0.38
NAAA Q02083 1/20 0.38
VNN1 O95497 1/20 0.37

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
SCHEMBL22438623 0.89 IDO1 (0.48) DEGS1NPC1RAB9AMAP4K4MINK1
SCHEMBL22439054 0.84 DEGS1 (0.46) DEGS1NPC1RAB9AMAP4K4MINK1
SCHEMBL22439072 0.84 DEGS1 (0.40) DEGS1NPC1RAB9AEGLN1CXCR3
SCHEMBL23908262 0.83 EGLN1 (0.50) DEGS1MAP4K4MINK1TNIKEGLN1
SCHEMBL22439033 0.82 DGAT1 (0.43) DEGS1NPC1RAB9AMAP4K4MINK1
SCHEMBL22439074 0.82 CXCR3 (0.43) DEGS1MAP4K4MINK1TNIKEGLN1
SCHEMBL22439019 0.81 DEGS1 (0.43) DEGS1MAP4K4MINK1TNIKEGLN1
SCHEMBL22438582 0.81 CXCR3 (0.43) DEGS1MAP4K4MINK1TNIKEGLN1
SCHEMBL23908250 0.80 MAP4K4 (0.46) DEGS1MAP4K4MINK1TNIKEGLN1
SCHEMBL22439043 0.80 EGLN1 (0.44) DEGS1MAP4K4MINK1TNIKEGLN1

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 9 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-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP 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 DEGS1 4257/4885NPC1 556/4885RAB9A 1781/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT DEGS1 4569/4885NPC1 975/4885RAB9A 1615/4885

“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.