SCHEMBL12838104

SCHEMBL12838104

COc1cc(-c2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc3cc(C)nn23)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 6/20 0.41
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CFTR P13569 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1524336 0.94 MAPT (0.43) HPGDALDH1A1CFTRMAPTADORA3
SCHEMBL1523610 0.92 CFTR (0.39) MAP3K5HPGDALDH1A1CFTRMAPT
SCHEMBL1523711 0.91 MAP3K5 (0.40) MAP3K5HPGDALDH1A1CFTRMAPT
SCHEMBL1523845 0.89 CFTR (0.38) MAP3K5HPGDALDH1A1CFTRMAPT
SCHEMBL1523773 0.89 MAPT (0.42) MAP3K5HPGDALDH1A1CFTRMAPT
SCHEMBL1523660 0.88 MEN1 (0.47) MAP3K5HPGDALDH1A1MAPTADORA3
SCHEMBL1523748 0.85 GRM5 (0.45) ALDH1A1MAPTADORA3KDM4EHSD17B10
SCHEMBL1523955 0.85 MAP3K5 (0.43) MAP3K5GSK3BDYRK1AMEN1KMT2A
SCHEMBL1523798 0.84 MAP3K5 (0.47) MAP3K5GSK3BDYRK1AMEN1KMT2A
SCHEMBL1523646 0.84 MAP3K5 (0.42) MAP3K5GSK3BDYRK1A

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-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 — — 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-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 11/4885HPGD 2241/4885ALDH1A1 2573/4885

“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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