SCHEMBL13054976

SCHEMBL13054976

CN1C(=N)N[C@](C)(c2cc(-c3cnn(C)c3)cs2)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.34
RET P07949 2/20 0.33
DYRK1B Q9Y463 1/20 0.33
CREBBP Q92793 2/20 0.32
MAP4K3 Q8IVH8 1/20 0.31
MAP4K1 Q92918 1/20 0.31
GSK3B P49841 1/20 0.31
KIT P10721 1/20 0.31
ADH5 P11766 2/20 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
SCHEMBL7557250 1.00 DYRK1A (0.34) DYRK1ARETDYRK1BCREBBPMAP4K3
SCHEMBL13054355 0.88 ZAP70 (0.31)
SCHEMBL7548774 0.88 ZAP70 (0.31)
SCHEMBL8201194 0.88 DYRK1A (0.32) DYRK1AGSK3BADH5
SCHEMBL13054288 0.86 DYRK1A (0.35) DYRK1ADYRK1B
SCHEMBL7543560 0.86 DYRK1A (0.35) DYRK1ADYRK1B
SCHEMBL7569997 0.86 BACE1 (0.35)
SCHEMBL13055291 0.85 BACE1 (0.34) DYRK1A
SCHEMBL7570297 0.85 BACE1 (0.34) DYRK1A
SCHEMBL12174136 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 DYRK1A 2448/4885RET 1802/4885DYRK1B 2317/4885

“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.