SCHEMBL3261900

SCHEMBL3261900

NC(=O)Nc1[nH]c2cc(-c3cccc(CNC4CCOCC4)c3)ccc2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
CHEK1 O14757 2/20 0.39
AAK1 Q2M2I8 5/20 0.37
PRKD1 Q15139 3/20 0.37
DHODH Q02127 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MTOR P42345 1/20 0.37
GAK O14976 3/20 0.37
STK16 O75716 3/20 0.37
BMP2K Q9NSY1 3/20 0.37
CDKL2 Q92772 2/20 0.37
PARP1 P09874 3/20 0.36
PRMT5 O14744 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
DYRK1A Q13627 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
SCHEMBL3208005 0.93 CHEK1 (0.42) MAP4K4CHEK1AAK1PRKD1DHODH
SCHEMBL3204573 0.92 CHEK1 (0.47) MAP4K4CHEK1AAK1DHODHJAK2
SCHEMBL3194725 0.88 CARM1 (0.42) MAP4K4CHEK1AAK1DHODHJAK2
SCHEMBL3207861 0.84 MTOR (0.34) CHEK1PRKD1JAK2JAK1TYK2
SCHEMBL3835840 0.82 CHEK1 (0.42) CHEK1PRKD1DHODHJAK1PARP1
SCHEMBL3204638 0.81 PDGFRB (0.41) AAK1GAKSTK16BMP2KCDKL2
SCHEMBL3212920 0.81 RET (0.44) MAP4K4JAK2PARP1CD274DYRK1A
SCHEMBL3829147 0.80 CHEK1 (0.47) CHEK1PARP1
SCHEMBL3205994 0.80 PARP1 (0.43) CHEK1AAK1DHODHPARP1
SCHEMBL9884417 0.80 FGFR2 (0.44) CHEK1AAK1

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 MAP4K4 444/4885CHEK1 1832/4885AAK1 345/4885

“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.