SCHEMBL15520099

SCHEMBL15520099

CN(C)CC1(COc2ccc3[nH]c(-c4c[c]c(C(N)=O)[nH]c4=O)cc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
CHEK1 O14757 2/20 0.35
PDGFRB P09619 4/20 0.35
PDGFRA P16234 4/20 0.35
AURKA O14965 2/20 0.34
FLT3 P36888 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
PDE5A O76074 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PTAFR P25105 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PDE1A P54750 1/20 0.32

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
SCHEMBL15520749 0.92 KDR (0.39) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL15520594 0.85 KDR (0.48) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL15519663 0.84 KDR (0.54) KDRPDGFRBPDGFRAAURKAFLT3
SCHEMBL15520441 0.83 PDGFRB (0.52) KDRPDGFRBPDGFRAAURKAFLT3
SCHEMBL15520100 0.81 KDR (0.37) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL4020825 0.81 KDR (0.42) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL15520117 0.79 KDR (0.50) KDRCHEK1PDGFRBPDGFRAFLT3
SCHEMBL15520073 0.79 KDR (0.40) KDRCHEK1PDGFRBPDGFRAFLT3
SCHEMBL15520101 0.78 KDR (0.41) KDRPDGFRBPDGFRAAURKAFLT3
SCHEMBL15519984 0.78 KDR (0.47) KDRPDGFRBPDGFRAAURKAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 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 (5 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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885CHEK1 1/4885PDGFRB 411/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885CHEK1 2/4885PDGFRB 1257/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885CHEK1 1/4885PDGFRB 411/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885CHEK1 2/4885PDGFRB 1257/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885CHEK1 2/4885PDGFRB 1257/4885

“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.