SCHEMBL19458669

SCHEMBL19458669

CCN(CC)CC1(COc2ccc3[nH]c(-c4cc(C(N)=O)c[nH]c4=O)cc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.37
KDR P35968 7/20 0.37
AURKA O14965 3/20 0.34
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 7/20 0.33
HPGD P15428 6/20 0.33
ALOX15 P16050 1/20 0.33
CFD P00746 1/20 0.33
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 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
SCHEMBL15520751 0.88 KDR (0.38) KDRAURKAKDM4EALDH1A1HSD17B10
SCHEMBL15520749 0.83 KDR (0.39) CHEK1KDRAURKAKDM4EALDH1A1
SCHEMBL15520664 0.81 KDR (0.37) KDRAURKAKDM4EALDH1A1HSD17B10
SCHEMBL15520750 0.78 KDR (0.36) CHEK1KDRAURKAKDM4EALDH1A1
SCHEMBL15520101 0.78 KDR (0.41) KDRAURKAKDM4EALDH1A1HSD17B10
SCHEMBL949731 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19458684 0.75 KDR (0.40) CHEK1KDRAURKAKDM4EALDH1A1
SCHEMBL15520099 0.74 KDR (0.41) CHEK1KDRAURKAKDM4EALDH1A1
SCHEMBL19458868 0.73 KDR (0.65) CHEK1KDRAURKA
SCHEMBL15520120 0.70 KDR (0.50) KDR

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 CHEK1 1/4885KDR 1088/4885AURKA 7/4885

“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.