SCHEMBL3834401

SCHEMBL3834401

NC(=O)Nc1[nH]c2cc(C(=O)Nc3cccnc3)ccc2c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.55
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
LMNA P02545 4/20 0.50
HIF1A Q16665 1/20 0.48
MAPKAPK2 P49137 3/20 0.48
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3834385 0.87 PLAU (0.51) LMNANPC1RAB9A
SCHEMBL3832839 0.81 RAB9A (0.42) NAMPTRAB9A
SCHEMBL3195761 0.80 MKNK1 (0.47)
SCHEMBL3835217 0.79 RXFP1 (0.55) NPC1RAB9A
SCHEMBL3829507 0.79 KCNK3 (0.45) HIF1ANPC1RAB9A
SCHEMBL3212546 0.78 JAK2 (0.48) NPC1RAB9A
SCHEMBL3829439 0.77 PARP1 (0.47) NPC1GAARAB9A
SCHEMBL3197147 0.76 PARP1 (0.44) GAA
SCHEMBL3205729 0.75 KIF11 (0.43) GAARAB9A
SCHEMBL13613365 0.74 TERT (0.44) NPC1GAARAB9A

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 NAMPT 4488/4885CYP11B1 1604/4885CYP11B2 1924/4885

“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.