SCHEMBL3204638

SCHEMBL3204638

CNCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
PARP1 P09874 1/20 0.40
PRMT6 Q96LA8 5/20 0.40
ASH1L Q9NR48 1/20 0.39
EPHX2 P34913 1/20 0.38
AAK1 Q2M2I8 5/20 0.38
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
NOS1 P29475 1/20 0.36
GAK O14976 4/20 0.36
STK16 O75716 4/20 0.36
BMP2K Q9NSY1 4/20 0.36
CDKL2 Q92772 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 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
SCHEMBL3206330 0.89 PDGFRB (0.42) PDGFRBKDRPARP1AAK1CHUK
SCHEMBL3197247 0.89 DHODH (0.48) PDGFRBKDRAAK1CHUKINSR
SCHEMBL3204674 0.89 DHODH (0.41) PDGFRBKDRPARP1AAK1CHUK
SCHEMBL3205994 0.88 PARP1 (0.43) PDGFRBKDRPARP1AAK1CHUK
SCHEMBL9884417 0.88 FGFR2 (0.44) PDGFRBKDRAAK1CHUKINSR
SCHEMBL3835837 0.87 PARP1 (0.40) PDGFRBKDRPARP1ASH1LNOS1
Hydrochloric Acid SCHEMBL3831155 0.87 FGFR2 (0.43) PDGFRBKDRCHUKINSRMAPK8
SCHEMBL3206896 0.86 VSIR (0.39) PDGFRBKDRAAK1CHUKINSR
SCHEMBL3215920 0.86 CHUK (0.51) PDGFRBKDRPARP1CHUKINSR
SCHEMBL3193888 0.86 ACMSD (0.42) PDGFRBKDRPARP1AAK1CHUK

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 9 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-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 PDGFRB 2002/4885KDR 2911/4885PARP1 2812/4885

“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.