SCHEMBL10198356

SCHEMBL10198356

[2H]C([2H])([2H])C([2H])(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C([2H])([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
ALPL P05186 1/20 0.34
PDGFRB P09619 3/20 0.31
KDR P35968 3/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 2/20 0.31

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
SCHEMBL10198341 0.92 AAK1 (0.42) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL365161 0.84 AAK1 (0.44) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL16175121 0.83 AAK1 (0.46) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL367669 0.82 AAK1 (0.43) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL16175226 0.80 AAK1 (0.43) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL29556254 0.79 ALPL (0.45) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL3673238 0.79 ALPL (0.45) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL364697 0.79 AAK1 (0.47) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL1690230 0.79 AAK1 (0.47) AAK1ALPLPDGFRBKDRGSK3A
SCHEMBL10198423 0.79 AAK1 (0.47) AAK1ALPLPDGFRBKDRGSK3A

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-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (2 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AAK1 3006/4885ALPL 4596/4885PDGFRB 4164/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AAK1 1882/4885ALPL 4612/4885PDGFRB 4055/4885

“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.