SCHEMBL16616576

SCHEMBL16616576

NC(=O)c1c[nH]c(=O)c(-c2cc3cc(CNCCO)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.46
F7 P08709 4/20 0.38
FFAR1 O14842 9/20 0.35
F3 P13726 2/20 0.35
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HPN P05981 1/20 0.34

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
SCHEMBL15520640 0.86 CHEK1 (0.38) CHEK1F7FFAR1PPARGKDM4E
SCHEMBL22134355 0.80 CHEK1 (0.45) CHEK1F7FFAR1PPARGKDM4E
SCHEMBL15520638 0.79 CHEK1 (0.41) CHEK1F7FFAR1PPARGKDM4E
SCHEMBL952431 0.75 SCD (0.40) CHEK1ALDH1A1MAPT
SCHEMBL15520108 0.73 TLR7 (0.36) CHEK1FFAR1PPARGKDM4EALDH1A1
SCHEMBL15520639 0.73 CHEK1 (0.38) CHEK1F7FFAR1PPARGKDM4E
SCHEMBL15520027 0.73 MAPT (0.42) CHEK1FFAR1KDM4EALDH1A1MAPT
SCHEMBL950328 0.73 SMN1; SMN2 (0.39) CHEK1KDM4EMAPT
SCHEMBL951161 0.72 KLKB1 (0.41) CHEK1MAPT
SCHEMBL19493245 0.72 SMN1; SMN2 (0.38) CHEK1KDM4EMAPT

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 CHEK1 1/4885F7 2428/4885FFAR1 1624/4885

“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.