SCHEMBL4857716

SCHEMBL4857716

COc1ccc(OC)c(C2=NNC(=O)C2=NNc2ccc(-c3ccccc3)c(OC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38

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
SCHEMBL4857700 1.00 GAA (0.41) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4857492 0.94 CYP1A1 (0.41) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4857529 0.94 CYP1A1 (0.41) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4856045 0.87 HTT (0.35) MEN1KMT2AKDM4EMAPK1HDAC4
SCHEMBL4856037 0.87 HTT (0.35) MEN1KMT2AKDM4EMAPK1HDAC4
SCHEMBL4863754 0.86 CHEK1 (0.43) MEN1KMT2AKDM4EKIT
SCHEMBL4863750 0.86 CHEK1 (0.43) MEN1KMT2AKDM4EKIT
SCHEMBL4859338 0.86 MEN1 (0.38) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4859340 0.86 MEN1 (0.38) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4865228 0.84 HTT (0.40) GAAMEN1KMT2AKDM4EMAPK1

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 GAA 1224/4885MEN1 1190/4885KMT2A 688/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A GAA 1224/4885MEN1 1190/4885KMT2A 688/4885

“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.