SCHEMBL27244751

SCHEMBL27244751

NC(=O)[C@@H]1CC2(CN1)Oc1ccncc1NC2=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 14/20 0.34
▸ CDK8 P49336 14/20 0.34
▸ HASPIN Q8TF76 14/20 0.34
▸ CDK19 Q9BWU1 9/20 0.34
▸ BACE1 P56817 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
SCHEMBL30890501 0.89 CCNC (0.32) CCNCCDK8HASPINCDK19BACE1
SCHEMBL27245043 0.83 BACE1 (0.39) BACE1
Hydrochloric Acid SCHEMBL27245163 0.82 BACE1 (0.39) BACE1
SCHEMBL27245044 0.79 AKR1B1 (0.42) —
Hydrochloric Acid SCHEMBL30890769 0.78 AKR1B1 (0.41) —
SCHEMBL27245225 0.74 GAA (0.33) BACE1
SCHEMBL30890473 0.74 GAA (0.33) BACE1
SCHEMBL27245141 0.74 OTUD7B (0.34) BACE1
SCHEMBL30890445 0.74 OTUD7B (0.34) BACE1
SCHEMBL27244746 0.74 NPC1 (0.35) —

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-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 — — 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-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 CCNC 3701/4885CDK8 2171/4885HASPIN 1593/4885

“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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