SCHEMBL4033388

SCHEMBL4033388

OC(c1ccncc1)C(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.63
SLC6A4 P31645 11/20 0.63
SLC6A3 Q01959 11/20 0.63
CYP3A4 P08684 10/20 0.63
CYP2D6 P10635 10/20 0.63
CYP19A1 P11511 1/20 0.44
KCNH2 Q12809 6/20 0.43
AKT1 P31749 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16114455 0.82 SLC6A3 (0.53) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6040421 0.80 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17455345 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20052866 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17472323 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1892118 0.78 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20710609 0.78 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL5999697 0.76 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20604406 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20604354 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
US-7235658-B2 Imidazol derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-20060122207-A1 Imidazol derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. 2006-06-08 US disclosed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
US-6987119-B2 Imidazol-2-carboxamide derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-17 US disclosed
EP-1261602-B1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
EP-1263753-B1 IMIDAZOL DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
US-20030153588-A1 Imidazol derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-14 US disclosed
US-20030134837-A1 Imidazol-2-carboxamide derivatives as raf kinase inhibitors GAIBA ALESSANDRA (GB) 2003-07-17 US disclosed
EP-1263753-A1 IMIDAZOL DERIVATIVES AS RAF KINASE INHIBITORS SmithKline Beecham plc (GB) 2002-12-11 EP disclosed
EP-1261602-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-04 EP disclosed
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP disclosed
WO-2001066539-A1 IMIDAZOL DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-09-13 WO disclosed
WO-2001066540-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-09-13 WO disclosed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
US-5717100-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO., INC. (US) 1998-02-10 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 (3 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-20030153588-A1 Imidazol derivatives as raf kinase inhibitors RAF1, BRAF, ARAF SLC6A2 4393/4885SLC6A4 4473/4885SLC6A3 3621/4885
US-20060122207-A1 Imidazol derivatives as Raf kinase inhibitors RAF1, BRAF, ARAF SLC6A2 3581/4885SLC6A4 3626/4885SLC6A3 2276/4885
US-20030134837-A1 Imidazol-2-carboxamide derivatives as raf kinase inhibitors BRAF, RAF1, ARAF SLC6A2 4337/4885SLC6A4 4125/4885SLC6A3 3866/4885

“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.