SCHEMBL4475402

SCHEMBL4475402

O=C(Nc1ccccc1)Oc1ccc2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.56
TEK Q02763 4/20 0.56
MAPK14 Q16539 12/20 0.55
MAPK13 O15264 9/20 0.55
MAPK12 P53778 9/20 0.55
MAPK11 Q15759 9/20 0.55
ALOX5 P09917 2/20 0.54
BRAF P15056 3/20 0.54
BRDT Q58F21 1/20 0.54
MAPK9 P45984 1/20 0.53
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
GCGR P47871 1/20 0.52

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
SCHEMBL4490139 0.91 RAF1 (0.69) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4472619 0.91 NOX1 (0.53) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4467742 0.89 RAF1 (0.64) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4468775 0.87 MAPT (0.53) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4467748 0.84 ALOX5 (0.52) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4483579 0.84 ALOX5 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4468049 0.78 KDM4E (0.45) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4471392 0.77 MAPK14 (0.79) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL4474775 0.77 RAF1 (0.54) RAF1TEKMAPK14MAPK13MAPK12
SCHEMBL6466096 0.76 RAF1 (0.68) RAF1MAPK14MAPK13MAPK12MAPK11

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569593-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-08-04 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
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP 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-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-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
US-7569593-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-08-04 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
WO-2005030151-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (US) 2005-04-07 WO disclosed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 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-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 RAF1 2/4885TEK 73/4885MAPK14 129/4885
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors LCK, RAF1, MAP3K1 RAF1 2/4885TEK 115/4885MAPK14 68/4885
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB RAF1 2355/4885TEK 1231/4885MAPK14 584/4885

“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.