SCHEMBL22966637

SCHEMBL22966637

COC(=O)Cn1cc(CN2CCc3nc(C(=O)N4CCc5c(-c6cccc7c6CCN7C(=O)c6nc7c(s6)CN(Cc6cn(CC(=O)OC)nn6)CC7)cccc54)sc3C2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 14/20 0.38
CD274 Q9NZQ7 14/20 0.38
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 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
SCHEMBL21451787 0.87 PDCD1 (0.44) PDCD1CD274GAA
SCHEMBL21451801 0.79 PDCD1 (0.41) PDCD1CD274GAAKMT2ACYP2C19
SCHEMBL21451792 0.78 PDCD1 (0.45) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL22966530 0.78 ALDH1A1 (0.41) GAAKDM4ENPC1RAB9AKMT2A
SCHEMBL22966641 0.78 PDCD1 (0.44) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21451803 0.78 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL22966632 0.77 PDCD1 (0.43) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL22966651 0.77 PDCD1 (0.43) PDCD1CD274GAA
SCHEMBL21621006 0.76 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL29716182 0.76 PDCD1 (0.42) PDCD1CD274GAA

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP PDCD1 409/4885CD274 148/4885GAA 2115/4885

“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.