SCHEMBL22014127

SCHEMBL22014127

COc1ccc([N+](=O)[O-])c(C(=O)CC#N)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.48
GSR P00390 1/20 0.43
S1PR4 O95977 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL23825276 0.85 TXNRD1 (0.46) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL22013249 0.82 TXNRD1 (0.51) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL29692796 0.82 TXNRD1 (0.51) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL2520856 0.82 TXNRD1 (0.51) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL16648934 0.79 TXNRD1 (0.53) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL14358106 0.78 POLB (0.36) MAPT
SCHEMBL3219042 0.75 TXNRD1 (0.52) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL21617705 0.75 TXNRD1 (0.51) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL621047 0.74 TXNRD1 (0.54) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL16649146 0.73 TXNRD1 (0.50) TXNRD1GSRS1PR4MAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166141-B Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2022-07-22 CN disclosed
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
CN-113166141-A Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2021-07-23 CN disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 TXNRD1 1172/4885GSR 2758/4885S1PR4 2640/4885

“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.