SCHEMBL23780215

SCHEMBL23780215

CC(C)c1ccc(C2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
TLR9 Q9NR96 9/20 0.36
TLR8 Q9NR97 9/20 0.36
TLR7 Q9NYK1 9/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL23780238 0.93 KMT2A (0.38) NPC1ALDH1A1ALOX15TLR9TLR8
SCHEMBL23780038 0.91 GRM5 (0.39) ALDH1A1MAPTALOX15KMT2A
SCHEMBL23780144 0.91 ALDH1A1 (0.40) NPC1ALDH1A1MAPTRAB9AALOX15
SCHEMBL23780046 0.90 ALOX15 (0.39) NPC1ALDH1A1MAPTRAB9AALOX15
SCHEMBL23780129 0.90 SCD5 (0.42) ALDH1A1RAB9AALOX15KMT2A
SCHEMBL23780196 0.89 CYP2C19 (0.38) NPC1ALDH1A1MAPTRAB9AALOX15
SCHEMBL23780073 0.87 UGCG (0.42) NPC1ALDH1A1MAPTALOX15TLR9
SCHEMBL23780157 0.87 UGCG (0.43) NPC1ALDH1A1ALOX15TLR9TLR8
SCHEMBL23780041 0.87 SCD5 (0.41) ALDH1A1RAB9AALOX15KMT2A
SCHEMBL31109347 0.87 UGCG (0.37) MAPTALOX15TLR9TLR8TLR7

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-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 claimed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US claimed
EP-3873464-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP claimed
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP disclosed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 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-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 PLA2G1B 743/4885ATG4B 1455/4885NPC1 1684/4885
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU PLA2G1B 936/4885ATG4B 1556/4885NPC1 2076/4885

“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.