SCHEMBL2695334

SCHEMBL2695334

CCOC(=O)C(C=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
TBXAS1 P24557 2/20 0.40
ALOX12 P18054 1/20 0.40
MPI P34949 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL6776942 0.85 ALDH1A1 (0.46) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11473911 0.82 GAA (0.43) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL10745237 0.82 GAA (0.44) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL8332616 0.81 GAA (0.50) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL6141592 0.81 NAMPT (0.42) GAAL3MBTL1LMNANPSR1ALDH1A1
SCHEMBL1516027 0.81 MMP8 (0.53) GAALMNASMN1; SMN2TSHRMAPT
SCHEMBL10827291 0.80 SMN1; SMN2 (0.51) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL1605240 0.80 CYP19A1 (0.56) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL14445303 0.80 GAA (0.47) GAAMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL234521 0.79 GAA (0.48) GAAMAPK1L3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334381-B2 Process for the preparation of intermediates useful in the synthesis of imatinib F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-12-18 US claimed
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF FALCHI ALESSANDRO 2010-09-16 US claimed
EP-2074095-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2009-07-01 EP claimed
WO-2008059551-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-05-22 WO claimed
EP-2074095-B1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ITALIANA SINT SPA (IT) 2014-07-02 EP disclosed
US-8334381-B2 Process for the preparation of intermediates useful in the synthesis of imatinib F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-12-18 US disclosed
US-8168787-B2 Process for the preparation of imatinib and intermediates thereof F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-05-01 US disclosed
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF FALCHI ALESSANDRO 2010-09-16 US disclosed
US-20100076189-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2010-03-25 US disclosed
EP-2074095-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2009-07-01 EP disclosed
WO-2008059551-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-05-22 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-20100076189-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ABL1, PDGFRA, ABL2 GAA 1283/4885MAPK1 492/4885L3MBTL1 2847/4885
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ABL1, PDGFRA, ABL2 GAA 1283/4885MAPK1 492/4885L3MBTL1 2847/4885

“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.