SCHEMBL4865058

SCHEMBL4865058

COc1cc(C2=NNC(=O)/C2=N\Nc2ccc(C)c(-c3cccc(NC(C)=O)c3)c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.44
FYN P06241 3/20 0.44
KIT P10721 1/20 0.42
GSK3B P49841 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
PAX8 Q06710 1/20 0.38
MAPT P10636 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CLK1 P49759 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL4865064 1.00 BRAF (0.44) BRAFFYNKITGSK3BPIK3C3
SCHEMBL4862413 0.87 KIT (0.41) BRAFFYNKITPIK3C3MAPT
SCHEMBL4862409 0.87 KIT (0.41) BRAFFYNKITPIK3C3MAPT
SCHEMBL4865283 0.87 BRD4 (0.39) MAPTADORA3
SCHEMBL4865287 0.87 BRD4 (0.39) MAPTADORA3
SCHEMBL4855994 0.86 FYN (0.42) FYNKITMAPT
SCHEMBL4855988 0.86 FYN (0.42) FYNKITMAPT
SCHEMBL4864178 0.85 EGFR (0.43) BRAFSMN1; SMN2
SCHEMBL4864163 0.85 EGFR (0.43) BRAFSMN1; SMN2
SCHEMBL4862410 0.85 MAPT (0.38) BRAFFYNGSK3BMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-06 US disclosed
US-6916798-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-07-12 US disclosed
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-05 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-20040024040-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A BRAF 825/4885FYN 1415/4885KIT 847/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A BRAF 825/4885FYN 1415/4885KIT 847/4885

“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.