SCHEMBL19926001

SCHEMBL19926001

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.44
▸ MTOR P42345 4/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.37
▸ UCHL1 P09936 1/20 0.35
▸ F12 P00748 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22204312 0.88 PARP1 (0.41) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL23198443 0.83 ADORA1 (0.52) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL23199090 0.82 ADORA1 (0.51) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL24758537 0.81 ADORA1 (0.50) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL23200226 0.81 ADORA1 (0.53) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL17551377 0.81 ADORA1 (0.50) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL24759062 0.79 ADORA1 (0.48) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL24722778 0.79 ADORA1 (0.48) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL23198536 0.77 ADORA1 (0.49) ADORA1MTORPARP1TNKS2PARP2
SCHEMBL2483591 0.77 ADORA1 (0.47) ADORA1USP30UCHL1ESR2NR1H2

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 12 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-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 — — US disclosed
US-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 — — 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
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 — — US disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 — — US disclosed
EP-3507289-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Suven Life Sciences Limited (IN) 2019-07-10 — — EP disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — WO disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — 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 (3 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-11040026-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 ADORA1 38/4885MTOR 2093/4885PARP1 3004/4885
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 ADORA1 38/4885MTOR 2093/4885PARP1 3004/4885
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 ADORA1 2762/4885MTOR 754/4885PARP1 342/4885

“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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