SCHEMBL23780243

SCHEMBL23780243

Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CCC(OCCO)CC4)c4c3CCCC4)CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
DHODH Q02127 1/20 0.33
CNR2 P34972 1/20 0.33
RBP4 P02753 3/20 0.33
CFD P00746 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
RORC P51449 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 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
SCHEMBL31109430 1.00 IDO1 (0.39) IDO1MAPTALOX15DHODHCNR2
SCHEMBL31109390 0.98 IDO1 (0.39) IDO1MAPTALOX15DHODHCNR2
SCHEMBL23780164 0.98 IDO1 (0.39) IDO1MAPTALOX15DHODHCNR2
SCHEMBL24878441 0.89 IDO1 (0.51) IDO1MAPTALOX15
SCHEMBL30128902 0.89 IDO1 (0.51) IDO1MAPTALOX15
SCHEMBL23780127 0.88 IDO1 (0.43) IDO1MAPTALOX15DHODHCNR2
SCHEMBL31109367 0.88 IDO1 (0.43) IDO1MAPTALOX15DHODHCNR2
SCHEMBL31109474 0.88 IDO1 (0.44) IDO1MAPTALOX15DHODHCNR2
SCHEMBL23780153 0.88 IDO1 (0.44) IDO1MAPTALOX15DHODHCNR2
SCHEMBL30129121 0.87 IDO1 (0.51) IDO1MAPTALOX15

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
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP claimed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US claimed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US claimed
EP-3873464-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP claimed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 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-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 IDO1 1/4885MAPT 2379/4885ALOX15 435/4885
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.