SCHEMBL3204573

SCHEMBL3204573

NC(=O)Nc1[nH]c2cc(-c3cccc(CNC4CCCC4)c3)ccc2c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
PARP1 P09874 3/20 0.43
HDAC1 Q13547 1/20 0.40
JAK2 O60674 1/20 0.40
AAK1 Q2M2I8 7/20 0.39
DHODH Q02127 1/20 0.39
GAK O14976 5/20 0.38
STK16 O75716 5/20 0.38
BMP2K Q9NSY1 5/20 0.38
CDKL2 Q92772 2/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAP4K4 O95819 2/20 0.38
SNCA P37840 1/20 0.36

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 0.96 CHEK1 (0.42) CHEK1PARP1HDAC1AAK1DHODH
SCHEMBL3261900 0.92 MAP4K4 (0.40) CHEK1PARP1JAK2AAK1DHODH
SCHEMBL3194725 0.90 CARM1 (0.42) CHEK1PARP1JAK2AAK1DHODH
SCHEMBL3829147 0.89 CHEK1 (0.47) CHEK1PARP1HDAC1POLBALDH1A1
SCHEMBL3835840 0.85 CHEK1 (0.42) CHEK1PARP1HDAC1DHODHALDH1A1
SCHEMBL3204638 0.84 PDGFRB (0.41) PARP1AAK1GAKSTK16BMP2K
SCHEMBL3204674 0.83 DHODH (0.41) PARP1AAK1DHODHGAKSTK16
SCHEMBL9884417 0.82 FGFR2 (0.44) CHEK1HDAC1AAK1
SCHEMBL3205994 0.82 PARP1 (0.43) CHEK1PARP1AAK1DHODHALDH1A1
SCHEMBL3206330 0.82 PDGFRB (0.42) PARP1AAK1DHODHGAKSTK16

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK1 1832/4885PARP1 2812/4885HDAC1 568/4885

“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.