SCHEMBL13362831

SCHEMBL13362831

Bc1ccc2nc(Nc3cc(OC[C@H](C)NC(=O)OC(C)(C)C)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ DDR2 Q16832 10/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ MET P08581 3/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ WNT1 P04628 1/20 0.34
▸ BRAF P15056 2/20 0.34
▸ TTK P33981 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL1571239 0.91 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571237 0.91 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571306 0.91 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571672 0.87 GSK3B (0.38) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1572814 0.87 GSK3B (0.38) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1572812 0.87 GSK3B (0.38) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL14146275 0.81 MAP4K1 (0.40) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571511 0.81 ACACB (0.40) DDR2MAP4K3MAP4K1BRAFMAPK1
SCHEMBL1870184 0.79 BRAF (0.37) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571735 0.79 BRAF (0.39) DDR2MAP4K3MAP4K1BRAF

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-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885DDR2 1558/4885

“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.

Send feedback