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Sugi Predict / Compounds / SCHEMBL21995985

SCHEMBL21995985

SCHEMBL21995985

Cc1c(Cl)cccc1N1CCN(C(=O)Cn2nc(C(=O)O)c3c2C[C@H]2C[C@@H]32)C2(CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.59
▸ PKM P14618 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ADAMTS5 Q9UNA0 6/20 0.34
▸ ADAM17 P78536 4/20 0.34
▸ HTR2A P28223 6/20 0.33
▸ HTR2C P28335 6/20 0.33
▸ SLC6A4 P31645 6/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL21995983 1.00 IDO1 (0.59) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL21996068 0.93 IDO1 (0.59) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL30128931 0.91 IDO1 (0.56) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL24878499 0.88 IDO1 (0.60) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL31011179 0.88 IDO1 (0.60) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL30129258 0.87 IDO1 (0.60) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL24878101 0.87 IDO1 (0.60) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL21855563 0.87 IDO1 (0.64) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL21995966 0.87 IDO1 (0.64) IDO1PKMMEN1ALDH1A1LMNA
SCHEMBL24878506 0.86 IDO1 (0.62) IDO1PKMMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 — — US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 — — EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 — — US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 — — EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 — — WO 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885PKM 2975/4885MEN1 3710/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC IDO1 1/4885PKM 2547/4885MEN1 3496/4885

“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.