SCHEMBL19458684

SCHEMBL19458684

CN(C)CC(C)(C)COc1ccc2[nH]c(-c3cc(C(N)=O)c[nH]c3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
CHEK1 O14757 2/20 0.37
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 6/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 1/20 0.36
CFD P00746 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
FLT3 P36888 1/20 0.34
AURKA O14965 1/20 0.34
NUAK1 O60285 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 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
SCHEMBL4020830 0.87 KDR (0.42) KDRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4020825 0.82 KDR (0.42) KDRCHEK1KDM4EALDH1A1HSD17B10
SCHEMBL15520809 0.80 KDR (0.41) KDRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15520317 0.77 KDR (0.39) KDRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4020827 0.77 KDR (0.38) KDRCHEK1KDM4EALDH1A1HSD17B10
SCHEMBL19458669 0.75 CHEK1 (0.37) KDRCHEK1KDM4EALDH1A1HSD17B10
SCHEMBL19458868 0.74 KDR (0.65) KDRCHEK1PDGFRBPDGFRAFLT3
SCHEMBL950079 0.74 ALDH1A1 (0.41) KDRALDH1A1
SCHEMBL31060778 0.74 ALDH1A1 (0.41) KDRALDH1A1
SCHEMBL950040 0.73 KLKB1 (0.36) ALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US 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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885CHEK1 1/4885KDM4E 1287/4885

“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.