SCHEMBL2379562

SCHEMBL2379562

O=C1NCCC2CCNC12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2380066 0.89 L3MBTL1 (0.38) KDM4EALDH1A1
SCHEMBL20758414 0.89 L3MBTL1 (0.34) KDM4EALDH1A1
SCHEMBL18045311 0.84
SCHEMBL20758335 0.84
SCHEMBL27154571 0.84
SCHEMBL2380015 0.84
SCHEMBL650795 0.74 CTSD (0.39) ALDH1A1
SCHEMBL12200828 0.73
SCHEMBL9158221 0.71
SCHEMBL9158207 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097598-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
WO-2019035008-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-02-21 WO disclosed
CN-106061973-A Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2016-10-26 CN disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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 (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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 KDM4E 2792/4885ALDH1A1 2947/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 KDM4E 927/4885ALDH1A1 2631/4885

“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.