SCHEMBL3204800

SCHEMBL3204800

NC(=O)Nc1[nH]c2cc(-c3cccc4ccccc34)ccc2c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MCL1 Q07820 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDR P35968 5/20 0.40
PDGFRB P09619 4/20 0.40
EZH2 Q15910 1/20 0.38
CDC7 O00311 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
LCK P06239 2/20 0.36
BTK Q06187 2/20 0.36
SERPINE1 P05121 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GSK3A P49840 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
SCHEMBL13613348 0.86 BRD4 (0.40) HDAC8HDAC6KDRPDGFRBBTK
SCHEMBL3212557 0.85 TNKS (0.49) ACMSDHDAC8HDAC6KDRPDGFRB
SCHEMBL3208016 0.85 ABL1 (0.43) MCL1KDRPDGFRBBTK
SCHEMBL3215710 0.84 ACVR1 (0.44) MCL1CA12CA1CA2CA9
SCHEMBL3212756 0.83 CDC7 (0.42) KDM4EGAAKDRPDGFRBCDC7
SCHEMBL3206124 0.83 FEN1 (0.44) HDAC6KDRPDGFRBGSK3AGSK3B
SCHEMBL3194644 0.82 TNKS2 (0.53) HDAC8HDAC6CDC7GSK3B
SCHEMBL3834383 0.82 ABL1 (0.36) KDRPDGFRBGSK3B
SCHEMBL3197896 0.81 HDAC2 (0.47) KDRPDGFRBCDC7SERPINE1
SCHEMBL3197150 0.80 AAK1 (0.44) KDRPDGFRBGSK3B

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 KDM4E 1670/4885GAA 3503/4885MCL1 303/4885

“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.