SCHEMBL24877825

SCHEMBL24877825

Cc1c(F)cccc1N1CCN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3c2CCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
ALOX15 P16050 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 3/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL30128999 1.00 IDO1 (0.48) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL24877880 0.93 IDO1 (0.53) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL30129204 0.93 IDO1 (0.53) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL30128924 0.93 ALOX15 (0.48) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL24877794 0.93 ALOX15 (0.44) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL30129529 0.93 ALOX15 (0.44) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL24877805 0.93 ALOX15 (0.48) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL24878014 0.91 ALOX15 (0.47) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL30128928 0.91 ALOX15 (0.47) IDO1ALOX15KMT2AMEN1MAPT
SCHEMBL24877807 0.91 IDO1 (0.47) IDO1ALOX15KMT2AMEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ALOX15 633/4885KMT2A 520/4885

“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.