SCHEMBL3209490

SCHEMBL3209490

NC(=O)Nc1[nH]c2cc(-c3cccc(N)c3)ccc2c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.40
MCL1 Q07820 1/20 0.38
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BRD4 O60885 1/20 0.35
KIF11 P52732 1/20 0.35
HDAC1 Q13547 1/20 0.35
PLK4 O00444 1/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
FRK P42685 1/20 0.35
MAP4K2 Q12851 1/20 0.35

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
SCHEMBL3206124 0.88 FEN1 (0.44) PDGFRBKDRBRD4
SCHEMBL9885160 0.88 GSK3B (0.42) AAK1PARP1PDGFRBKDRADORA2A
SCHEMBL3197150 0.88 AAK1 (0.44) AAK1PARP1PDGFRBKDRPIM1
SCHEMBL3205678 0.86 PDGFRB (0.49) PARP1PDGFRBKDRFLT3
SCHEMBL3217098 0.86 NUDT1 (0.45) PARP1HDAC1
SCHEMBL3209326 0.86 TNKS2 (0.48) PDGFRBKDRMAP4K4NTRK3AURKB
SCHEMBL14142494 0.85 PDPK1 (0.42) AAK1PDPK1PARP1MCL1PDGFRB
SCHEMBL13613410 0.85 PARP1 (0.41) PARP1PDGFRBKDRKIF11CA12
SCHEMBL3205994 0.84 PARP1 (0.43) AAK1PARP1PDGFRBKDRLIMK1
SCHEMBL3831031 0.84 ABL1 (0.42) AAK1MAP4K4MKNK2IRAK4KIT

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
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG AAK1 345/4885PDPK1 709/4885PARP1 2812/4885

“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.