SCHEMBL7105859

SCHEMBL7105859

COc1[c]sc2cccc(-c3ncccn3)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.35
DYRK1A Q13627 1/20 0.35
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL7107797 0.84 SMN1; SMN2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7451102 0.79 ALDH1A1 (0.36) CYP19A1ALDH1A1CYP3A4CYP2D6
SCHEMBL3525749 0.74 MEN1 (0.39) ALDH1A1CYP3A4
SCHEMBL7448786 0.70 CLK4 (0.35) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL7453756 0.67 CLK4 (0.40) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL3527744 0.64 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4
SCHEMBL7453259 0.64 CLK4 (0.40) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL7111062 0.64 CLK4 (0.38) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL7109833 0.64 CLK4 (0.35) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL17194888 0.63 CLK4 (0.43) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 CLK4 4518/4885DYRK1A 4574/4885CYP19A1 2687/4885

“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.