SCHEMBL16617371

SCHEMBL16617371

CN(C)CCCNCc1ccc2[nH]c(-c3c[c]c(C(N)=O)[nH]c3=O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CHEK1 O14757 4/20 0.38
TERT O14746 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 6/20 0.34
TSHR P16473 2/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL15520638 0.89 CHEK1 (0.41) F7CHEK1ALDH1A1KDM4EMAPT
SCHEMBL16616778 0.88 HDAC6 (0.40) F7CHEK1ALDH1A1KMT2APKM
SCHEMBL15520025 0.86 CHEK1 (0.42) F7CHEK1ALDH1A1KDM4EMAPT
SCHEMBL15520105 0.85 CHEK1 (0.39) F7CHEK1ALDH1A1KDM4EMAPT
SCHEMBL15520769 0.83 CHEK1 (0.40) F7CHEK1FFAR1TSHRKDR
SCHEMBL15520164 0.81 CHEK1 (0.40) CHEK1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL15520441 0.81 PDGFRB (0.52) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL15520722 0.79 CHEK1 (0.44) CHEK1MAPTHPGDFFAR1KDR
SCHEMBL15520684 0.78 CHEK1 (0.42) CHEK1KDM4EKMT2AFFAR1TSHR
SCHEMBL15519936 0.78 CHEK1 (0.39) CHEK1ALDH1A1KDM4EKMT2AHPGD

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 F7 2428/4885CCNA2 535/4885CDK2 118/4885

“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.