SCHEMBL4862409

SCHEMBL4862409

COc1ccc(OC)c(C2=NNC(=O)/C2=N\Nc2ccc(C)c(-c3cccc(NC(C)=O)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
BRAF P15056 5/20 0.40
FYN P06241 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
BRD4 O60885 1/20 0.37
P2RX3 P56373 1/20 0.36
POLB P06746 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
SCHEMBL4862413 1.00 KIT (0.41) KITMAPTMEN1KMT2APKM
SCHEMBL4865064 0.87 BRAF (0.44) KITMAPTBRAFFYNADORA3
SCHEMBL4865058 0.87 BRAF (0.44) KITMAPTBRAFFYNADORA3
SCHEMBL4867111 0.85 CYP11B1 (0.42) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL4867109 0.85 CYP11B1 (0.42) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL4857883 0.83 TUBB4A (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4857877 0.83 TUBB4A (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4859340 0.83 MEN1 (0.38) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4866929 0.83 GAA (0.36) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL4866935 0.83 GAA (0.36) MAPTMEN1KMT2AHPGDKDM4E

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 KIT 847/4885MAPT 154/4885MEN1 1190/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A KIT 847/4885MAPT 154/4885MEN1 1190/4885

“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.