SCHEMBL19863737

SCHEMBL19863737

O=C(/C=C/c1ccncc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.78
ASAH1 Q13510 1/20 0.71
IKBKB O14920 1/20 0.66
CHUK O15111 1/20 0.66
AKT1 P31749 1/20 0.66
AKT2 P31751 1/20 0.66
AKT3 Q9Y243 1/20 0.66

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
SCHEMBL19863736 0.92 PADI4 (0.86) PADI4ASAH1IKBKBCHUKAKT1
SCHEMBL22899534 0.91 PADI4 (0.66) PADI4ASAH1
SCHEMBL19857869 0.91 PADI4 (0.84) PADI4
SCHEMBL19857870 0.91 PADI4 (0.84) PADI4
SCHEMBL22899533 0.89 PADI4 (0.68) PADI4ASAH1
SCHEMBL23468061 0.88 PADI4 (1.00) PADI4
SCHEMBL19857871 0.87 PADI4 (0.86) PADI4
SCHEMBL19857872 0.87 PADI4 (0.86) PADI4
SCHEMBL19952981 0.87 PADI4 (1.00) PADI4
SCHEMBL29611923 0.87 PADI4 (1.00) PADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 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 (3 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-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex EIF4E, EIF4A1, EIF4A2 PADI4 4191/4885ASAH1 3593/4885IKBKB 1115/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885ASAH1 468/4885IKBKB 1218/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885ASAH1 468/4885IKBKB 1218/4885

“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.