SCHEMBL19857798

SCHEMBL19857798

O=C(/C=C/c1cccnc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 19/20 1.00
IKBKB O14920 1/20 0.65
CHUK O15111 1/20 0.65
AKT1 P31749 1/20 0.65
AKT2 P31751 1/20 0.65
AKT3 Q9Y243 1/20 0.65

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
SCHEMBL19857799 1.00 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857755 0.95 PADI4 (0.91) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857754 0.95 PADI4 (0.91) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19863768 0.92 PADI4 (0.84) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19863739 0.92 PADI4 (0.84) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19863770 0.91 PADI4 (0.84) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857874 0.91 PADI4 (0.87) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857873 0.91 PADI4 (0.87) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857765 0.90 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857766 0.90 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 US disclosed
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 US disclosed
EP-4073054-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS Fondazione Istituto Italiano di Tecnologia (IT) 2022-10-19 EP disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
WO-2021116999-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2021-06-17 WO disclosed
WO-2021116999-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2021-06-17 WO disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-03 US disclosed
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-03 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 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 (5 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-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS RAD51, BRCA1, FANCI PADI4 4745/4885IKBKB 1476/4885CHUK 1593/4885
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex EIF4E, EIF4A1, EIF4A2 PADI4 4191/4885IKBKB 1115/4885CHUK 724/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885IKBKB 1218/4885CHUK 923/4885
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex EIF4E, EIF4A1, EIF4A2 PADI4 4191/4885IKBKB 1115/4885CHUK 724/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885IKBKB 1218/4885CHUK 923/4885

“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.