SCHEMBL22759957

SCHEMBL22759957

COCCOC[C@@H](O[C@H](CO)COP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ HPRT1 P00492 1/20 0.30

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
SCHEMBL13443499 0.82 L3MBTL1 (0.36) KDM4EMEN1TSHRKMT2A
SCHEMBL20833449 0.80 KDM4E (0.39) KDM4EMEN1TSHRKMT2AHPRT1
SCHEMBL20833441 0.80 KDM4E (0.39) KDM4EMEN1TSHRKMT2AHPRT1
SCHEMBL22759882 0.79 CCNB2 (0.35) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL25605598 0.79 KDM4E (0.37) KDM4ECDK5CDK5R1MEN1TSHR
SCHEMBL22399679 0.79 KDM4E (0.37) KDM4ECDK5CDK5R1MEN1TSHR
SCHEMBL22335430 0.74 KDM4E (0.46) KDM4EMEN1KMT2A
SCHEMBL20833132 0.74 KDM4E (0.48) KDM4EMEN1KMT2A
SCHEMBL24102841 0.73 KDM4E (0.54) KDM4EMEN1TSHRKMT2A
SCHEMBL23898886 0.73 KDM4E (0.54) KDM4EMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385725-A1 UNA AMIDITES AND USES THEREOF Atrium Therapeutics, Inc. 2020-12-10 — — 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 (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-20200385725-A1 UNA AMIDITES AND USES THEREOF NCL, PNP, NASP KDM4E 4566/4885CDK5 2862/4885CDK5R1 2845/4885

“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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