SCHEMBL23788258

SCHEMBL23788258

C[C@H](NC(=O)OC(C)(C)C)C(=O)OCOC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NTSR1 P30989 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 1/20 0.32
ACACB O00763 1/20 0.31
PPARG P37231 1/20 0.31
KLK7 P49862 1/20 0.30

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
SCHEMBL13784389 0.90 HPGD (0.36) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL23788255 0.87 MAPT (0.38) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL26368792 0.86 MAPT (0.39) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL2301398 0.84 PPARA (0.36) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL2301403 0.84 PPARA (0.36) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL2302447 0.84 PPARA (0.36) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL2302440 0.84 PPARA (0.36) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL23788253 0.83 SMN1; SMN2 (0.43) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL2300125 0.83 PPARA (0.35) MAPTHPGDPPARAALDH1A1PTPN1
SCHEMBL2300128 0.83 PPARA (0.35) MAPTHPGDPPARAALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-09-09 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-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP ERG28, PDXK, PAH MAPT 1381/4885HPGD 164/4885NPY1R 3291/4885
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group ERG28, PDXK, PAH MAPT 1381/4885HPGD 164/4885NPY1R 3291/4885

“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.