SCHEMBL3834385

SCHEMBL3834385

NC(=O)Nc1[nH]c2cc(C(=O)Nc3ccccc3)ccc2c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
CHEK2 O96017 1/20 0.47
MAPT P10636 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
PRSS1 P07477 1/20 0.46
POLB P06746 1/20 0.44
PTPN1 P18031 3/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 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
SCHEMBL3212546 0.88 JAK2 (0.48) JAK2JAK1MAPTPTPN1SIRT2
SCHEMBL3834401 0.87 NAMPT (0.55) NPC1RAB9ALMNA
SCHEMBL3829507 0.85 KCNK3 (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3835217 0.85 RXFP1 (0.55) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL3197147 0.84 PARP1 (0.44) JAK2SIRT2KMT2A
SCHEMBL3203946 0.84 PDGFRB (0.53) PLAUMAPTNPC1RAB9AMEN1
SCHEMBL3214633 0.84 IMPDH2 (0.60) PLAUMAPTMEN1KMT2AEGFR
SCHEMBL3834034 0.83 KDR (0.39) CHEK2
SCHEMBL3194784 0.82 PARP1 (0.55) MAPTNPC1RAB9AHDAC2HDAC8
SCHEMBL3205729 0.81 KIF11 (0.43) MAPTRAB9AMEN1KMT2A

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 6 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-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 PLAU 4777/4885JAK2 438/4885JAK1 763/4885

“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.