SCHEMBL4862406

SCHEMBL4862406

COc1cc(C2=NNC(=O)/C2=N/Nc2ccc(C)c(-c3ccc(C(C)=O)cc3)c2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
FYN P06241 1/20 0.35
MAOB P27338 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
GSK3B P49841 2/20 0.34
BRAF P15056 1/20 0.34
SMO Q99835 1/20 0.34
MAPK14 Q16539 1/20 0.34
POLB P06746 2/20 0.33
MAP3K11 Q16584 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL4862410 1.00 MAPT (0.38) MAPTTSHRGAASMN1; SMN2KMT2A
SCHEMBL4865283 0.90 BRD4 (0.39) MAPTTSHRGAAKMT2AALDH1A1
SCHEMBL4865287 0.90 BRD4 (0.39) MAPTTSHRGAAKMT2AALDH1A1
SCHEMBL4865714 0.85 FYN (0.35) MAPTKMT2AALDH1A1MEN1FYN
SCHEMBL4865719 0.85 FYN (0.35) MAPTKMT2AALDH1A1MEN1FYN
SCHEMBL4863104 0.85 TUBB4A (0.42) MAPTGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL4863110 0.85 TUBB4A (0.42) MAPTGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL4865064 0.85 BRAF (0.44) MAPTSMN1; SMN2HPGDFYNMAOB
SCHEMBL4865058 0.85 BRAF (0.44) MAPTSMN1; SMN2HPGDFYNMAOB
SCHEMBL4864178 0.84 EGFR (0.43) SMN1; SMN2ALDH1A1BRAFPOLB

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 MAPT 154/4885TSHR 4636/4885GAA 1224/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MAPT 154/4885TSHR 4636/4885GAA 1224/4885

“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.