SCHEMBL5120274

SCHEMBL5120274

CON=C1CCc2cc(C(O)C(O)c3ccncc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.37
MAPK3 P27361 7/20 0.37
MAPK1 P28482 7/20 0.37
CYP19A1 P11511 7/20 0.37
CYP11B2 P19099 7/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MIF P14174 1/20 0.35
CYP11B1 P15538 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL18608901 0.78 MAPT (0.39) MAPK1MAPTNPC1NFKB1RAB9A
SCHEMBL24911 0.76 MAPT (0.38) MAPK1MAPTNPC1NFKB1RAB9A
SCHEMBL24910 0.76 MAPT (0.38) MAPK1MAPTNPC1NFKB1RAB9A
SCHEMBL14519206 0.75 CYP11B2 (0.37) CYP19A1CYP11B2MAPTALDH1A1LMNA
SCHEMBL6174408 0.75 CYP11B1 (0.44) CYP19A1CYP11B2MAPTALDH1A1LMNA
SCHEMBL5131390 0.74 RAB9A (0.43) BRAFMAPK3MAPK1CYP19A1CYP11B2
SCHEMBL5131394 0.74 RAB9A (0.43) BRAFMAPK3MAPK1CYP19A1CYP11B2
SCHEMBL6606901 0.72 MAPT (0.42) CYP19A1CYP11B2MAPTNPC1NFKB1
SCHEMBL6606892 0.72 MAPT (0.42) CYP19A1CYP11B2MAPTNPC1NFKB1
SCHEMBL13606738 0.70 MAPT (0.47) MAPK1MAPTNPC1NFKB1RAB9A

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 9 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
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
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors DEAN DAVID KENNETH (GB) 2004-07-01 US disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
EP-1318992-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP 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 BRAF 1/4885MAPK3 488/4885MAPK1 639/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885MAPK3 95/4885MAPK1 90/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF BRAF 1/4885MAPK3 77/4885MAPK1 55/4885
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors RAF1, BRAF, ARAF BRAF 2/4885MAPK3 68/4885MAPK1 29/4885
US-20080108615-A1 Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors BRAF, RAF1, ARAF BRAF 1/4885MAPK3 62/4885MAPK1 65/4885

“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.