SCHEMBL4855994

SCHEMBL4855994

COc1cc(C2=NNC(=O)C2=NNc2ccc(C)c(-c3cccc(N)c3)c2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.42
KIT P10721 3/20 0.42
FLT3 P36888 2/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
TUBB4A P04350 6/20 0.36
TUBB P07437 6/20 0.36
TUBA3C P0DPH7 6/20 0.36
TUBA1B P68363 6/20 0.36
TUBA4A P68366 6/20 0.36
TUBB4B P68371 6/20 0.36
TUBB3 Q13509 6/20 0.36
TUBB2A Q13885 6/20 0.36
TUBB8 Q3ZCM7 6/20 0.36
TUBA3E Q6PEY2 6/20 0.36
TUBA1A Q71U36 6/20 0.36
TUBA1C Q9BQE3 6/20 0.36
TUBB6 Q9BUF5 6/20 0.36
TUBB2B Q9BVA1 6/20 0.36
TUBB1 Q9H4B7 6/20 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
SCHEMBL4855988 1.00 FYN (0.42) FYNKITFLT3ABL1NTRK1
SCHEMBL4865287 0.90 BRD4 (0.39) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4865283 0.90 BRD4 (0.39) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4865064 0.86 BRAF (0.44) FYNKITMAPT
SCHEMBL4866200 0.86 HPGD (0.39) FYNKITTUBB4ATUBBTUBA3C
SCHEMBL4866188 0.86 HPGD (0.39) FYNKITTUBB4ATUBBTUBA3C
SCHEMBL4865058 0.86 BRAF (0.44) FYNKITMAPT
SCHEMBL4867830 0.86 CYP1A1 (0.38) KITNTRK1MAPT
SCHEMBL4867821 0.86 CYP1A1 (0.38) KITNTRK1MAPT
SCHEMBL4864178 0.86 EGFR (0.43) FLT3TUBB4ATUBBTUBA3CTUBA1B

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 5 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
WO-2003011287-A1 PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 WO 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 FYN 1415/4885KIT 847/4885FLT3 1304/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A FYN 1415/4885KIT 847/4885FLT3 1304/4885

“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.