SCHEMBL3214652

SCHEMBL3214652

NC(=O)Nc1[nH]c2cc(-c3cncnc3)ccc2c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
BTK Q06187 1/20 0.38
DYRK1A Q13627 4/20 0.37
ABL1 P00519 1/20 0.37
WNT1 P04628 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 2/20 0.35
ATM Q13315 1/20 0.35
ERN1 O75460 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
CLK2 P49760 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 1/20 0.34
KIF11 P52732 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL14142711 0.91 LRRK2 (0.38) LRRK2BTKDYRK1AABL1WNT1
SCHEMBL3195761 0.87 MKNK1 (0.47) LRRK2BTKDYRK1AABL1CLK2
SCHEMBL3831031 0.87 ABL1 (0.42) BTKDYRK1AABL1MAPK1AAK1
SCHEMBL3206899 0.86 GSK3B (0.43) LRRK2ABL1CHUK
SCHEMBL9885160 0.83 GSK3B (0.42) ABL1AAK1KIF11PDGFRBKDR
SCHEMBL3206124 0.83 FEN1 (0.44) IKBKBJAK2JAK3PDGFRBKDR
SCHEMBL3205809 0.83 GSK3B (0.47) LRRK2ABL1MAPK1KCNH2JAK2
SCHEMBL3835325 0.82 DYRK1A (0.35) DYRK1AABL1MAPK1KCNH2AAK1
SCHEMBL3215596 0.82 TNKS2 (0.45) LRRK2ABL1IKBKBMAPK1JAK2
SCHEMBL3212694 0.82 MAP2 (0.42) IKBKBCHUKAAK1KIF11CNR1

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 LRRK2 119/4885BTK 1317/4885DYRK1A 1955/4885

“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.