SCHEMBL4472802

SCHEMBL4472802

O=C(Oc1ccc2cccc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)c2c1)N(Cc1ccccc1)C1=COCO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.42
MAPK14 Q16539 10/20 0.38
RAF1 P04049 7/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
BRDT Q58F21 1/20 0.38
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
TEK Q02763 1/20 0.37
ALOX5 P09917 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
MAPK9 P45984 1/20 0.36

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
SCHEMBL4468778 0.89 BRAF (0.47) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4472799 0.75 MAPT (0.48) RAF1
SCHEMBL4468049 0.71 KDM4E (0.45) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4474775 0.69 RAF1 (0.54) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4488711 0.68 MAPK13 (0.68) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4483579 0.68 ALOX5 (0.49) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4467785 0.68 MAPK14 (0.52) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4474780 0.67 ALOX5 (0.45) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL4747223 0.64 TRPM8 (0.42)
SCHEMBL4468775 0.63 MAPT (0.53) MAPK14RAF1MAPK13MAPK12MAPK11

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-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; IRM LLC (BM) 2009-10-15 US claimed
EP-1670780-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-12-17 EP claimed
EP-1670780-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-21 EP claimed
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-09-22 US claimed
WO-2005030151-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (US) 2005-04-07 WO claimed
US-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; IRM LLC (BM) 2009-10-15 US disclosed
US-7569593-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-08-04 US disclosed
EP-1670780-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-12-17 EP disclosed
EP-1670780-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-21 EP disclosed
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-09-22 US disclosed
WO-2005030151-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (US) 2005-04-07 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-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; PDGFRA, RAF1, FLT1 BRAF 14/4885MAPK14 129/4885RAF1 2/4885
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors LCK, RAF1, MAP3K1 BRAF 4/4885MAPK14 68/4885RAF1 2/4885

“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.