SCHEMBL395800

SCHEMBL395800

Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TDP2 O95551 1/20 0.47
AHR P35869 3/20 0.46
CMA1 P23946 2/20 0.46
MAPK14 Q16539 2/20 0.46
CA9 Q16790 1/20 0.45
EIF2AK2 P19525 1/20 0.45
CRBN Q96SW2 4/20 0.44
DDB1 Q16531 3/20 0.44
PDK2 Q15119 1/20 0.44
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL395562 0.89 KIF11 (0.66) KIF11KDM4EMEN1LMNAGAA
SCHEMBL396156 0.87 DDX3X (0.59) TDP2CRBNFABP7FABP5SMYD3
SCHEMBL16208502 0.79 KIF11 (0.67) KIF11CA9CRBNDDB1
SCHEMBL25430331 0.79 CA9 (0.44) KIF11MAPTTDP1TDP2AHR
SCHEMBL30623134 0.79 CA9 (0.44) KIF11MAPTTDP1TDP2AHR
SCHEMBL30468520 0.78 CA9 (0.70) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL398137 0.78 CA9 (0.70) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL10713146 0.78 TDP2 (0.69) TDP2AHRCMA1CA9EIF2AK2
Hydrochloric Acid SCHEMBL9833199 0.76 CA9 (0.68) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL394638 0.76 AHR (0.45) KIF11KDM4EMEN1LMNAGAA

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
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
EP-2102190-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-09-23 EP disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
CN-101056632-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-10-17 CN disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B KIF11 1787/4885KDM4E 1774/4885MEN1 1484/4885
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NTRK2, PDGFRB, PDGFRA KIF11 1787/4885KDM4E 1999/4885MEN1 4107/4885

“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.