SCHEMBL21451801

SCHEMBL21451801

CNC(=O)CN1CCc2nc(C(=O)N3CCc4c(-c5cccc6c5CCN6C(=O)c5nc6c(s5)CN(CC(=O)NC)CC6)cccc43)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 18/20 0.41
CD274 Q9NZQ7 18/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL21451812 0.96 PDCD1 (0.41) PDCD1CD274GAACYP1A2CYP2D6
SCHEMBL21451787 0.89 PDCD1 (0.44) PDCD1CD274GAA
SCHEMBL21451792 0.89 PDCD1 (0.45) PDCD1CD274GAA
SCHEMBL21451803 0.88 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL22966651 0.87 PDCD1 (0.43) PDCD1CD274GAA
SCHEMBL21621006 0.86 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL29716182 0.86 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL21616705 0.85 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL21621008 0.85 PDCD1 (0.43) PDCD1CD274GAA
SCHEMBL29716258 0.85 PDCD1 (0.43) 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 2 patents. 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
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO 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.