SCHEMBL3206330

SCHEMBL3206330

CCNCc1cccc(-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 0.42
KDR P35968 2/20 0.42
AAK1 Q2M2I8 6/20 0.37
GAK O14976 5/20 0.36
STK16 O75716 5/20 0.36
BMP2K Q9NSY1 5/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
CDKL2 Q92772 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 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
SCHEMBL3204638 0.89 PDGFRB (0.41) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3206896 0.89 VSIR (0.39) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3218723 0.88 PDGFRB (0.40) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3194777 0.87 VSIR (0.41) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3217220 0.87 CHEK1 (0.48) PDGFRBKDRAAK1
SCHEMBL3204674 0.87 DHODH (0.41) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3197247 0.87 DHODH (0.48) PDGFRBKDRAAK1GAKSTK16
SCHEMBL3205994 0.86 PARP1 (0.43) PDGFRBKDRAAK1CHUKINSR
SCHEMBL9884417 0.86 FGFR2 (0.44) PDGFRBKDRAAK1CHUKINSR
Hydrochloric Acid SCHEMBL3831155 0.85 FGFR2 (0.43) PDGFRBKDRCHUKINSRMAPK8

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 10 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
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 2911/4885AAK1 345/4885

“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.