SCHEMBL23199117

SCHEMBL23199117

COC(=O)c1cc(C)c2c(n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ MKNK1 Q9BUB5 5/20 0.40
▸ CHRM4 P08173 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ EHMT2 Q96KQ7 2/20 0.38
▸ SPR P35270 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35

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
SCHEMBL23198474 0.90 PARP1 (0.46) C5AR1NR1H2MKNK1MTOREHMT2
SCHEMBL23199026 0.88 C5AR1 (0.43) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL21847840 0.83 CHRM4 (0.55) C5AR1MKNK1CHRM4CYP1A2PARP1
SCHEMBL21847835 0.82 C5AR1 (0.43) C5AR1MKNK1CHRM4CYP1A2MTOR
SCHEMBL31644535 0.81 C5AR1 (0.44) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL31581514 0.81 C5AR1 (0.44) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL21847923 0.80 CHRM4 (0.43) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL21847070 0.80 C5AR1 (0.43) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL23199082 0.79 C5AR1 (0.43) C5AR1NR1H2MKNK1CHRM4CYP1A2
SCHEMBL21847888 0.79 C5AR1 (0.45) C5AR1NR1H2MKNK1CHRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 — — US disclosed
EP-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 — — EP disclosed
US-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2021-10-07 — — US disclosed
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 — — 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 (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-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 C5AR1 3218/4885NR1H2 391/4885MKNK1 3102/4885
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 C5AR1 4375/4885NR1H2 1335/4885MKNK1 466/4885

“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.

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