SCHEMBL3829381

SCHEMBL3829381

NC(=O)Nc1[nH]c2cc(-c3ccc(Cl)c(CO)c3)ccc2c1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.34
KDR P35968 4/20 0.34
LIN28A Q9H9Z2 1/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KIF11 P52732 2/20 0.32
ICMT O60725 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL3829662 0.84 PIK3CA (0.39) PDGFRBKDRMEN1KMT2AHDAC6
SCHEMBL3195669 0.83 CHUK (0.38) PDGFRBKDRIDO1TDO2KIF11
SCHEMBL3212694 0.83 MAP2 (0.42) LIN28AHDAC6KIF11MAP2
SCHEMBL3206710 0.82 GSK3B (0.42) PDGFRBKDRLIN28AHDAC6KIF11
SCHEMBL3208130 0.81 PDCD1 (0.39) PDGFRBKDRHDAC6JAK2
SCHEMBL3205994 0.81 PARP1 (0.43) PDGFRBKDRMAPT
SCHEMBL3217098 0.80 NUDT1 (0.45) HDAC6JAK2MAP2
SCHEMBL9885160 0.79 GSK3B (0.42) PDGFRBKDRIDO1TDO2KIF11
SCHEMBL3206124 0.79 FEN1 (0.44) PDGFRBKDRHDAC6JAK2
SCHEMBL3831016 0.79 MPL (0.39) PDGFRBKDRIDO1TDO2KIF11

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 7 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-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 PDGFRB 2002/4885KDR 2911/4885LIN28A 2110/4885

“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.