SCHEMBL23908272

SCHEMBL23908272

CC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)COC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.52
CYP2C9 P11712 4/20 0.52
WDR91 A4D1P6 3/20 0.38
RAF1 P04049 6/20 0.36
BRAF P15056 2/20 0.36
GABRA5 P31644 4/20 0.36
PDE2A O00408 2/20 0.36

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
SCHEMBL22439026 0.87 IDO1 (0.66) IDO1CYP2C9WDR91RAF1BRAF
SCHEMBL22438962 0.86 IDO1 (0.40) IDO1CYP2C9WDR91GABRA5
SCHEMBL23918906 0.86 IDO1 (0.41) IDO1CYP2C9PDE2A
SCHEMBL20972223 0.82 IDO1 (0.77) IDO1CYP2C9RAF1BRAF
SCHEMBL22685074 0.81 IDO1 (0.51) IDO1CYP2C9WDR91RAF1PDE2A
SCHEMBL20972015 0.81 IDO1 (0.55) IDO1CYP2C9RAF1BRAF
SCHEMBL22439174 0.80 IDO1 (0.54) IDO1CYP2C9RAF1BRAF
Potassium Ion SCHEMBL20972078 0.79 IDO1 (0.53) IDO1CYP2C9RAF1BRAF
SCHEMBL22438913 0.78 IDO1 (0.54) IDO1CYP2C9PDE2A
SCHEMBL22439040 0.78 IDO1 (0.66) IDO1CYP2C9PDE2A

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 4 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 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 IDO1 1/4885CYP2C9 915/4885WDR91 1642/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP2C9 989/4885WDR91 1729/4885

“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.