SCHEMBL21389532

SCHEMBL21389532

CCCCN1c2nc(CO)n(CC)c2C(=O)NC1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.33
▸ RIN1 Q13671 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL21389537 0.89 ABL1 (0.35) ABL1RIN1TDP1GAATP53
SCHEMBL23255225 0.74 GAA (0.33) ABL1RIN1TDP1GAAMEN1
SCHEMBL23731049 0.72 ABL1 (0.32) ABL1RIN1TDP1GAATP53
SCHEMBL18466242 0.65 GBA1 (0.38) ABL1RIN1TDP1GAAGBA1
SCHEMBL21389575 0.65 GAA (0.41) ABL1RIN1TDP1GAATP53
SCHEMBL19066314 0.61 MEN1 (0.65) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11371116 0.57 GBA1 (0.58) ABL1RIN1TDP1GAATP53
SCHEMBL22570380 0.55 AGTR1 (0.40) —
SCHEMBL24732505 0.55 AGTR1 (0.40) —
SCHEMBL19399936 0.55 PDE5A (0.31) —

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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 — — 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 ABL1 2195/4885RIN1 3084/4885TDP1 300/4885

“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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