SCHEMBL24878352

SCHEMBL24878352

Cc1c(Cl)cccc1N1CCN(C(=O)Cn2nc(C(=O)N3CCN(C)C(C)C3)c3c2CCC(F)(F)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
ADAMTS5 Q9UNA0 6/20 0.38
ADAM17 P78536 4/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
MMP2 P08253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR3 P49682 1/20 0.34
KCNH2 Q12809 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
SCHEMBL24878749 0.88 IDO1 (0.43) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL24878134 0.87 IDO1 (0.48) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL24878346 0.87 IDO1 (0.37) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL21996079 0.87 IDO1 (0.61) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL24878348 0.87 IDO1 (0.61) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL21995886 0.87 ADAMTS5 (0.46) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL24878369 0.85 IDO1 (0.41) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL24878120 0.84 IDO1 (0.58) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL21995730 0.84 ALOX15 (0.41) IDO1ADAMTS5ADAM17ALOX15ALDH1A1
SCHEMBL21995913 0.82 IDO1 (0.49) IDO1ALOX15ALDH1A1MAPTLMNA

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-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP claimed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885ADAMTS5 945/4885ADAM17 2809/4885

“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.