SCHEMBL15520722

SCHEMBL15520722

NC(=O)c1[c]cc(-c2cc3cc(CNCC4CCCCC4)ccc3[nH]2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.44
HDAC6 Q9UBN7 2/20 0.40
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
METTL3 Q86U44 2/20 0.36
METTL14 Q9HCE5 2/20 0.36
FFAR1 O14842 1/20 0.34
KDR P35968 2/20 0.34
MAPT P10636 1/20 0.34
SNCA P37840 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
SCHEMBL15520025 0.85 CHEK1 (0.42) CHEK1HPGDFFAR1MAPT
SCHEMBL15520638 0.84 CHEK1 (0.41) CHEK1FFAR1KDRMAPT
SCHEMBL15520105 0.80 CHEK1 (0.39) CHEK1FFAR1MAPT
SCHEMBL16617371 0.79 F7 (0.42) CHEK1HPGDFFAR1KDRMAPT
SCHEMBL15519903 0.78 CHEK1 (0.68) CHEK1
SCHEMBL15520645 0.78 CHEK1 (0.49) CHEK1
SCHEMBL15520813 0.78 CHEK1 (0.51) CHEK1
SCHEMBL4018489 0.78 CHEK1 (0.51) CHEK1
SCHEMBL15520093 0.78 CHEK1 (0.62) CHEK1
SCHEMBL15520003 0.77 CHEK1 (0.59) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP 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 (2 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 1/4885HDAC6 3449/4885HTT 2810/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885HDAC6 934/4885HTT 4452/4885

“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.