SCHEMBL20898950

SCHEMBL20898950

N#Cc1cccc(C(=O)Nc2ccc(C3(C(=O)Nc4ccc(F)cc4)CCC3)nc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.61
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
VNN1 O95497 1/20 0.45
GRM5 P41594 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA2A P29274 1/20 0.44
PRKAA2 P54646 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL20899512 0.91 IDO1 (0.75) IDO1MEN1KMT2ABRAFKDM4E
SCHEMBL29631509 0.91 IDO1 (0.75) IDO1MEN1KMT2ABRAFKDM4E
SCHEMBL20898935 0.85 IDO1 (0.50) IDO1MEN1KMT2ABRAFKDM4E
SCHEMBL20898692 0.85 IDO1 (0.82) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL20898982 0.85 IDO1 (0.75) IDO1MEN1KMT2AKDM4EALDH1A1
SCHEMBL20910428 0.82 IDO1 (0.78) IDO1BRAFGRM5
SCHEMBL29558874 0.82 IDO1 (0.78) IDO1BRAFGRM5
SCHEMBL25916728 0.81 IDO1 (0.54) IDO1MEN1KMT2AKDM4EALDH1A1
SCHEMBL20898715 0.81 IDO1 (0.53) IDO1MEN1KMT2AKDM4EALDH1A1
SCHEMBL20898564 0.81 IDO1 (0.60) IDO1BRAFKDM4EALDH1A1VNN1

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-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
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-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
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 (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-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885MEN1 2921/4885KMT2A 1379/4885
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885MEN1 2861/4885KMT2A 1555/4885

“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.