SCHEMBL5131390

SCHEMBL5131390

CO/N=C1/CCc2cc(C(=O)C(=O)c3ccncc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 7/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRAF P15056 5/20 0.37
MAPK3 P27361 5/20 0.37
MAPK1 P28482 5/20 0.37
CYP19A1 P11511 3/20 0.35
LMNA P02545 1/20 0.35
MIF P14174 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
CYP11B2 P19099 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5131394 1.00 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL14519205 0.75 SRD5A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5120274 0.74 BRAF (0.37) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL6606901 0.74 MAPT (0.42) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL6606892 0.74 MAPT (0.42) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL13606738 0.70 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1855812 0.68 SRD5A1 (0.42) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1855814 0.68 SRD5A1 (0.42) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL29854633 0.68 SRD5A1 (0.42) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL24842 0.68 MAPT (0.39) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108615-A1 Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors SMITHKLINE BEECHAM P.L.C 2008-05-08 US disclosed
US-7282500-B2 Imidazole-2-carboxamide derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-16 US disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
EP-1397354-B1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-10-26 EP disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 US disclosed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP disclosed
EP-1492568-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTRATION OF AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SmithKline Beecham Corporation (US) 2005-01-05 EP disclosed
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors DEAN DAVID KENNETH (GB) 2004-07-01 US disclosed
EP-1397354-A1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-03-17 EP disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
EP-1318992-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002094808-A1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-28 WO disclosed
WO-2002024680-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 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 (5 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-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS RAB9A 392/4885NPC1 3636/4885SMN1; SMN2 4665/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAB9A 1098/4885NPC1 1566/4885SMN1; SMN2 2433/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF RAB9A 870/4885NPC1 1281/4885SMN1; SMN2 2075/4885
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors RAF1, BRAF, ARAF RAB9A 1550/4885NPC1 2931/4885SMN1; SMN2 4300/4885
US-20080108615-A1 Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors BRAF, RAF1, ARAF RAB9A 675/4885NPC1 900/4885SMN1; SMN2 817/4885

“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.