SCHEMBL20899043

SCHEMBL20899043

O=C(Nc1ccc(F)cc1)C1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.64
HDAC1 Q13547 2/20 0.56
CYP2C9 P11712 1/20 0.53
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
BACE1 P56817 1/20 0.51
FFAR2 O15552 3/20 0.51
FPR2 P25090 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30636521 1.00 IDO1 (0.64) IDO1HDAC1CYP2C9KCNQ3KCNQ2
SCHEMBL20972132 0.86 IDO1 (0.59) IDO1HDAC1CYP2C9KCNQ3KCNQ2
SCHEMBL30636518 0.86 IDO1 (0.59) IDO1HDAC1CYP2C9KCNQ3KCNQ2
SCHEMBL20898995 0.85 IDO1 (0.59) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL20898967 0.84 IDO1 (0.66) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL20898981 0.84 IDO1 (0.58) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL25916023 0.82 IDO1 (0.61) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL20898990 0.81 IDO1 (0.55) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL20907964 0.80 IDO1 (0.59) IDO1HDAC1CYP2C9FFAR2LMNA
SCHEMBL30518122 0.80 IDO1 (0.59) IDO1HDAC1CYP2C9FFAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344287-B Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东有限责任公司 2023-12-19 CN disclosed
EP-3694503-B1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3694503-B1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US disclosed
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US disclosed
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 US disclosed
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 US disclosed
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-17 US disclosed
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-17 US disclosed
EP-3694503-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 US disclosed
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 US disclosed
CN-111344287-A Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东公司 2020-06-26 CN disclosed
US-10647705-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-20190144433-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
WO-2019074749-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074749-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 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 (6 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-10647705-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885HDAC1 75/4885CYP2C9 1054/4885
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HDAC1 70/4885CYP2C9 1406/4885
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885HDAC1 75/4885CYP2C9 1054/4885
US-20190144433-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HDAC1 70/4885CYP2C9 1406/4885
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885HDAC1 227/4885CYP2C9 1692/4885
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HDAC1 180/4885CYP2C9 2531/4885

“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.