SCHEMBL4331205

SCHEMBL4331205

COc1ccc(-n2nc(C(N)=O)c(O)cc2=O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
RAB9A P51151 1/20 0.71
KMT2A Q03164 1/20 0.63
GAA P10253 3/20 0.61
ALDH1A1 P00352 4/20 0.56
FHIT P49789 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
RIPK2 O43353 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4341080 0.88 ALDH1A1 (0.73) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL15422625 0.77 KMT2A (1.00) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL5717543 0.74 GAA (0.69) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL30022668 0.72 ALDH1A1 (0.61) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL29438150 0.72 BRD9 (0.52) SMN1; SMN2KMT2AGAAALDH1A1MAPT
SCHEMBL18781445 0.71 BRD9 (0.48) SMN1; SMN2RAB9AGAAALDH1A1MAPT
SCHEMBL2546655 0.70 ALDH1A1 (0.69) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL13578883 0.69 KMT2A (0.55) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL30716454 0.68 RXFP1 (0.50) GAAMAPTTHRBL3MBTL1CSNK2A2
SCHEMBL4326028 0.68 MAPT (0.74) SMN1; SMN2RAB9AKMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 US disclosed
US-20040192682-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 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-20040192682-A1 Compositions useful as inhibitors of protein kinases GSK3A, GSK3B, CSNK1A1 SMN1; SMN2 1310/4885RAB9A 2274/4885KMT2A 2215/4885
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases GSK3A, GSK3B, GSKIP SMN1; SMN2 1456/4885RAB9A 2024/4885KMT2A 1927/4885

“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.