SCHEMBL20845708

SCHEMBL20845708

Cn1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)O)cnc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 10/20 0.57
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PTGER4 P35408 10/20 0.51

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
SCHEMBL18938868 0.88 PADI4 (0.54) PADI4PTGER4
SCHEMBL18247513 0.87 PADI4 (0.51) PADI4PTGER4
Lithium SCHEMBL18247699 0.86 PADI4 (0.50) PADI4PTGER4
SCHEMBL18247694 0.86 PADI4 (0.50) PADI4PTGER4
SCHEMBL18247356 0.85 PADI4 (0.69) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18247442 0.80 PADI4 (0.72) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL25145034 0.79 PADI4 (0.51) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18938867 0.78 PADI4 (0.56) PADI4
Lithium Ion SCHEMBL18247696 0.77 PADI4 (0.49) PADI4PDE4APDE4BPDE4CPDE4D
Lithium Ion SCHEMBL30325457 0.77 PADI4 (0.49) PADI4PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 US disclosed
EP-3684767-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2020-07-29 EP disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 WO 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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 PADI4 1/4885PDE4A 7/4885PDE4B 6/4885
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 PADI4 4577/4885PDE4A 3389/4885PDE4B 3512/4885
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 PADI4 1/4885PDE4A 7/4885PDE4B 6/4885

“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.