SCHEMBL4859131

SCHEMBL4859131

COc1cc(Cn2cc(Br)c3ccncc32)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.46
FNTB P49356 16/20 0.46
PGGT1B P53609 16/20 0.46
ALDH1A1 P00352 1/20 0.38
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CACNA1H O95180 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL4856398 0.78 CYP11B1 (0.53) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4857588 0.77 CYP19A1 (0.50) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4851322 0.77 LPO (0.47) ALDH1A1DYRK1A
SCHEMBL4859078 0.72 DYRK1A (0.51) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4849658 0.71 DYRK1A (0.67) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4857328 0.71 CYP1B1 (0.42) NFATC1GSK3BDYRK1A
SCHEMBL4857531 0.71 DYRK1A (0.66) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL29801631 0.71 DYRK1A (0.66) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4847918 0.70 DYRK1A (0.52) NFATC1GSK3BDYRK1AMAPK10
SCHEMBL4849408 0.70 DYRK1A (0.53) NFATC1GSK3BDYRK1A

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 FNTA 1397/4885FNTB 776/4885PGGT1B 2470/4885

“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.