SCHEMBL395562

SCHEMBL395562

Nc1cccc(Nc2ccc3c(c2)CC(=O)N3)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.66
▸ BCL6 P41182 1/20 0.52
▸ SMYD3 Q9H7B4 2/20 0.50
▸ GRIA1 P42261 1/20 0.49
▸ CACNG8 Q8WXS5 1/20 0.49
▸ PTK2B Q14289 1/20 0.48
▸ 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
▸ AHR P35869 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ JAK3 P52333 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ DDB1 Q16531 1/20 0.44

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
SCHEMBL395800 0.89 KIF11 (0.52) KIF11SMYD3KDM4EMEN1LMNA
SCHEMBL16208502 0.87 KIF11 (0.67) KIF11DDB1CRBN
SCHEMBL16208518 0.80 KIF11 (1.00) KIF11PTK2BGAA
SCHEMBL18312045 0.79 ULK1 (0.54) KIF11SMYD3DDB1CRBN
Hydrochloric Acid SCHEMBL18302922 0.78 ULK1 (0.53) KIF11SMYD3DDB1CRBN
SCHEMBL22660 0.78 AHR (0.61) SMYD3GRIA1CACNG8GAAAHR
SCHEMBL28837814 0.78 KIF11 (0.63) KIF11BCL6SMYD3GRIA1PTK2B
SCHEMBL10714806 0.78 TDP2 (0.69) GRIA1CACNG8AHRPGRCRBN
SCHEMBL28119242 0.78 AHR (0.68) KIF11BCL6SMYD3PTK2BGAA
Hydrochloric Acid SCHEMBL15206761 0.76 AHR (0.59) SMYD3GRIA1CACNG8GAAAHR

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-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
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
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 (1 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 1787/4885BCL6 838/4885SMYD3 1632/4885

“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.

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