SCHEMBL16616778

SCHEMBL16616778

COCCCNCc1ccc2[nH]c(-c3c[c]c(C(N)=O)[nH]c3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
CHEK1 O14757 5/20 0.38
KDR P35968 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
FFAR1 O14842 3/20 0.34
SLC2A1 P11166 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
F7 P08709 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPN P05981 1/20 0.33
SYK P43405 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 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
SCHEMBL16617371 0.88 F7 (0.42) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL15520638 0.87 CHEK1 (0.41) CHEK1KDRALDH1A1FFAR1F7
SCHEMBL15520025 0.86 CHEK1 (0.42) CHEK1ALDH1A1FFAR1F7
SCHEMBL15520105 0.85 CHEK1 (0.39) CHEK1ALDH1A1FFAR1SLC2A1F7
SCHEMBL16318358 0.81 KDR (0.49) HDAC6CHEK1KDRFFAR1
SCHEMBL15520722 0.79 CHEK1 (0.44) HDAC6CHEK1KDRHTTFFAR1
SCHEMBL15520684 0.76 CHEK1 (0.42) CHEK1KDRMEN1KMT2AFFAR1
SCHEMBL15520164 0.74 CHEK1 (0.40) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL15520769 0.74 CHEK1 (0.40) CHEK1KDRFFAR1F7
SCHEMBL5079421 0.74 KDR (0.58) CHEK1KDRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HDAC6 3449/4885CHEK1 1/4885KDR 1088/4885

“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.