SCHEMBL3835837

SCHEMBL3835837

CNCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.40
ASH1L Q9NR48 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KIF11 P52732 2/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
NTRK1 P04629 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3204638 0.87 PDGFRB (0.41) PARP1ASH1LPDGFRBKDRNOS1
SCHEMBL3209318 0.87 PDGFRB (0.45) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3205898 0.85 PARP1 (0.40) PARP1KDM4EALDH1A1KIF11PDGFRB
SCHEMBL3219057 0.85 GSK3B (0.37) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3193849 0.84 ALOX5 (0.41) PARP1KDM4EALDH1A1PDGFRBKDR
SCHEMBL9885283 0.84 CHUK (0.43) PARP1KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3830984 0.84 NPC1 (0.40) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL9885297 0.83 KDM4E (0.38) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3829547 0.83 ALOX5 (0.40) KDM4EALDH1A1PDGFRBKDRALOX5
SCHEMBL3835840 0.83 CHEK1 (0.42) PARP1KDM4EALDH1A1KIF11MEN1

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 PARP1 2812/4885ASH1L 1259/4885KDM4E 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.