SCHEMBL10068463

SCHEMBL10068463

CCN1CCC(c2nc(C(=O)O)co2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.39
GSK3B P49841 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
FLT3 P36888 1/20 0.34
HTR4 Q13639 1/20 0.33

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
SCHEMBL10068456 0.85 CYP3A4 (0.39) SMN1; SMN2
SCHEMBL12984738 0.82 HCAR2 (0.41) DYRK1AGSK3BSMN1; SMN2IRAK4
SCHEMBL10037330 0.81 DYRK1A (0.37) DYRK1AGSK3BIRAK4CLK2CLK3
SCHEMBL1807234 0.80 NPC1 (0.44) DYRK1AGSK3BSMN1; SMN2SMYD3
SCHEMBL3436265 0.79 HCAR2 (0.37) DYRK1AGSK3BIRAK4
SCHEMBL3558644 0.79 HCAR2 (0.37) DYRK1AGSK3BIRAK4
SCHEMBL3436264 0.79 HCAR2 (0.37) DYRK1AGSK3BIRAK4
SCHEMBL3436267 0.78 CYP3A4 (0.44)
SCHEMBL3547638 0.76 IRAK4 (0.39) DYRK1AGSK3BSMN1; SMN2IRAK4FLT3
SCHEMBL10068465 0.72 SMN1; SMN2 (0.48) DYRK1AGSK3BSMN1; SMN2

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL DYRK1A 4743/4885GSK3B 4209/4885SMN1; SMN2 4117/4885

“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.