SCHEMBL3204534

SCHEMBL3204534

NC(=O)Nc1[nH]c2cc(-c3ccc[nH]3)ccc2c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABL1 P00519 1/20 0.38
CNR1 P21554 1/20 0.38
KDR P35968 5/20 0.35
PDGFRB P09619 4/20 0.35
CHEK1 O14757 6/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
KIF11 P52732 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL14142524 0.83 CDK2 (0.42) CDK2GSK3AGSK3BHDAC1HDAC6
SCHEMBL3206124 0.83 FEN1 (0.44) GSK3AGSK3BHDAC6KDRPDGFRB
SCHEMBL3217098 0.81 NUDT1 (0.45) HDAC1HDAC6JAK2
SCHEMBL3220486 0.81 GSK3B (0.42) GSK3AGSK3BHDAC6KDRPDGFRB
SCHEMBL9885160 0.81 GSK3B (0.42) GSK3BHDAC1ABL1KDRPDGFRB
SCHEMBL3201931 0.81 GSK3A (0.46) GSK3AGSK3BABL1
SCHEMBL3209490 0.80 AAK1 (0.46) HDAC1KDRPDGFRBKIF11
SCHEMBL3197150 0.80 AAK1 (0.44) CDK2GSK3BKDRPDGFRBCHEK1
SCHEMBL3834320 0.80 IDO1 (0.34) KDRPDGFRBCHEK1IDO1TDO2
SCHEMBL3829293 0.80 CHEK2 (0.44) ABL1CNR1JAK2

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 13 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 claimed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US claimed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US claimed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP claimed
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 CDK2 1964/4885GSK3A 294/4885GSK3B 278/4885

“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.