SCHEMBL3204023

SCHEMBL3204023

NC(=O)Nc1[nH]c2cc(-c3ccc(N4CCOCC4)nc3)ccc2c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.53
MAPT P10636 1/20 0.48
ERN1 O75460 1/20 0.46
TDO2 P48775 1/20 0.46
CNR2 P34972 3/20 0.46
JAK3 P52333 2/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
CYP11B2 P19099 1/20 0.43
MAP4K1 Q92918 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
SYK P43405 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
ATR Q13535 1/20 0.42
AOC3 Q16853 1/20 0.42
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL3195628 0.89 IKBKE (0.46) JAK2MAP4K1TLR8TLR7
SCHEMBL3835925 0.86 JAK2 (0.50) JAK2JAK3JAK1TYK2AOC3
SCHEMBL3835670 0.83 PIM1 (0.49) JAK2MAPTIRAK4
SCHEMBL3831045 0.82 LRRK2 (0.52) JAK2JAK3JAK1TYK2ATR
SCHEMBL3205809 0.79 GSK3B (0.47) JAK2TDO2JAK3MAPK1
SCHEMBL9884416 0.76 PARP1 (0.46) JAK2JAK3JAK1TYK2TLR8
SCHEMBL3258138 0.76 MAP3K11 (0.45) JAK2MAPTTDO2JAK3TLR8
SCHEMBL139919 0.76 JAK2 (0.68) JAK2ERN1TDO2JAK3JAK1
Hydrochloric Acid SCHEMBL3831205 0.75 PARP1 (0.45) JAK2JAK3JAK1TYK2TLR8
SCHEMBL3214652 0.74 LRRK2 (0.41) JAK2ERN1CNR2JAK3MAPK1

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 10 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
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 JAK2 438/4885MAPT 3915/4885ERN1 191/4885

“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.