SCHEMBL396509

SCHEMBL396509

Nc1cccc(Nc2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.72
RET P07949 2/20 0.72
FLT3 P36888 1/20 0.72
ALK Q9UM73 1/20 0.72
AKT2 P31751 1/20 0.66
PDK1 Q15118 1/20 0.66
PDGFRB P09619 2/20 0.62
NTRK1 P04629 8/20 0.61
TLK2 Q86UE8 2/20 0.60
JAK3 P52333 1/20 0.60
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
NEK2 P51955 1/20 0.60
NTRK3 Q16288 1/20 0.59
PDGFRA P16234 1/20 0.59
FLT1 P17948 1/20 0.59
KDR P35968 1/20 0.59

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
SCHEMBL396510 1.00 PDPK1 (0.72) PDPK1RETFLT3ALKAKT2
SCHEMBL10091848 0.91 NTRK3 (0.71) PDPK1RETFLT3ALKPDGFRB
SCHEMBL396412 0.91 NTRK3 (0.71) PDPK1RETFLT3ALKPDGFRB
SCHEMBL396411 0.91 NTRK3 (0.71) PDPK1RETFLT3ALKPDGFRB
SCHEMBL18053 0.84 PDPK1 (1.00) PDPK1RETFLT3ALKAKT2
SCHEMBL18054 0.84 PDPK1 (1.00) PDPK1RETFLT3ALKAKT2
SCHEMBL3597068 0.82 KIT (0.76) PDPK1FLT3AKT2PDK1PDGFRB
SCHEMBL3597067 0.82 KIT (0.76) PDPK1FLT3AKT2PDK1PDGFRB
SCHEMBL27781578 0.81 PDPK1 (0.56) PDPK1RETFLT3ALKAKT2
SCHEMBL398830 0.81 TLK2 (0.89) PDPK1FLT3AKT2PDK1PDGFRB

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 claimed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO claimed
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
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

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 PDPK1 370/4885RET 5/4885FLT3 93/4885

“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.