SCHEMBL10033417

SCHEMBL10033417

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCCC(=O)NPC(=O)[C@@H](N)CCCNC(N)N)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 9/20 0.68
▸ ROCK2 O75116 2/20 0.68
▸ AKT3 Q9Y243 1/20 0.61
▸ HSP90B1 P14625 1/20 0.60

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
SCHEMBL10001410 0.82 PRKACA (0.83) PRKACAROCK2HSP90B1
SCHEMBL29360147 0.81 PRKACA (1.00) PRKACAROCK2HSP90B1
SCHEMBL32660834 0.81 PRKACA (1.00) PRKACAROCK2HSP90B1
SCHEMBL13157206 0.79 PRKACA (0.81) PRKACAROCK2HSP90B1
SCHEMBL10001415 0.78 PRKACA (0.79) PRKACAROCK2HSP90B1
SCHEMBL31409360 0.78 PRKACA (1.00) PRKACAROCK2AKT3
SCHEMBL25047825 0.76 AHCY (0.84) HSP90B1
SCHEMBL30941230 0.76 AHCY (0.84) HSP90B1
SCHEMBL14178249 0.75 ADORA3 (0.82) PRKACAROCK2HSP90B1
SCHEMBL17294015 0.74 PRKACA (0.75) PRKACAROCK2HSP90B1

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-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK PRKACA 12/4885ROCK2 386/4885AKT3 492/4885

“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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