SCHEMBL4468049

SCHEMBL4468049

CN(C)c1ccc(NC(=O)Oc2ccc3cccc(-c4nc(-c5ccccc5)[nH]c4-c4ccncc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOX1 Q9Y5S8 1/20 0.44
RAF1 P04049 5/20 0.44
MAPK14 Q16539 7/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALOX5 P09917 3/20 0.42
CYP3A4 P08684 1/20 0.42
BRAF P15056 3/20 0.41
BRDT Q58F21 1/20 0.41

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
SCHEMBL4472619 0.88 NOX1 (0.53) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL4474775 0.86 RAF1 (0.54) KDM4EMEN1ALDH1A1MAPTGFER
SCHEMBL4483579 0.85 ALOX5 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4472799 0.84 MAPT (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4474780 0.81 ALOX5 (0.45) KDM4EMEN1ALDH1A1MAPTGFER
SCHEMBL4475402 0.78 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4463584 0.77 ALOX5 (0.62) MAPTNOX1RAF1MAPK14MAPK13
SCHEMBL4490139 0.76 RAF1 (0.69) KDM4EMEN1ALDH1A1MAPTGFER
SCHEMBL4467742 0.73 RAF1 (0.64) KDM4EMEN1ALDH1A1MAPTGFER
SCHEMBL4488711 0.71 MAPK13 (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 9 patents. 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
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-09-22 US 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
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-09-22 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 (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 KDM4E 649/4885MEN1 4783/4885ALDH1A1 1523/4885
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors LCK, RAF1, MAP3K1 KDM4E 1518/4885MEN1 4463/4885ALDH1A1 2870/4885

“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.