SCHEMBL3834575

SCHEMBL3834575

CCCSCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IKBKB O14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
GSK3B P49841 2/20 0.32
KIF11 P52732 2/20 0.32
ALOX15 P16050 4/20 0.32
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3217246 0.91 KDM4E (0.35) PDGFRBKDRKDM4EALDH1A1IKBKB
SCHEMBL3832900 0.90 KDM4E (0.34) PDGFRBKDRKDM4EALDH1A1KIF11
SCHEMBL3209318 0.87 PDGFRB (0.45) PDGFRBKDRKDM4EALDH1A1IKBKB
SCHEMBL3830984 0.86 NPC1 (0.40) PDGFRBKDRKDM4EALDH1A1IKBKB
SCHEMBL3835634 0.85 ALDH1A1 (0.40) PDGFRBKDRKDM4EALDH1A1CYP1A2
SCHEMBL3219057 0.84 GSK3B (0.37) PDGFRBKDRKDM4EALDH1A1CYP1A2
SCHEMBL3829352 0.83 MAPT (0.36) KDM4EALDH1A1KIF11MAPT
SCHEMBL3834670 0.83 KIF11 (0.38) PDGFRBKDRKDM4EALDH1A1KIF11
SCHEMBL3829633 0.83 KDM4E (0.37) PDGFRBKDRKDM4EALDH1A1KIF11
SCHEMBL3211579 0.81 S1PR4 (0.42) CYP1A2

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 6 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-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 2911/4885KDM4E 1670/4885

“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.