SCHEMBL31109367

SCHEMBL31109367

Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CCN(C(=O)CO)CC4)c4c3CCCC4)CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.37
TMEM97 Q5BJF2 1/20 0.35
CFD P00746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RBP4 P02753 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.34
DHODH Q02127 1/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL23780127 1.00 IDO1 (0.43) IDO1MAPTALOX15TMEM97CFD
SCHEMBL23780079 0.98 IDO1 (0.43) IDO1MAPTALOX15TMEM97CFD
SCHEMBL31109435 0.98 IDO1 (0.43) IDO1MAPTALOX15TMEM97CFD
SCHEMBL31109474 0.92 IDO1 (0.44) IDO1MAPTALOX15TMEM97CFD
SCHEMBL23780153 0.92 IDO1 (0.44) IDO1MAPTALOX15TMEM97CFD
SCHEMBL23780145 0.90 IDO1 (0.44) IDO1MAPTALOX15TMEM97CFD
SCHEMBL31109391 0.90 IDO1 (0.44) IDO1MAPTALOX15TMEM97CFD
SCHEMBL23780146 0.89 IDO1 (0.41) IDO1KDM4E
SCHEMBL31109345 0.89 IDO1 (0.41) IDO1KDM4E
SCHEMBL23780243 0.88 IDO1 (0.39) IDO1MAPTALOX15TMEM97CFD

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885MAPT 2054/4885ALOX15 443/4885

“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.