SCHEMBL20920169

SCHEMBL20920169

COc1cccc2cc(C=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP2A6 P11509 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NQO2 P16083 1/20 0.46
HRH4 Q9H3N8 2/20 0.46
FLT3 P36888 2/20 0.46
ITK Q08881 2/20 0.44
IDO1 P14902 1/20 0.42
TLR2 O60603 1/20 0.41
ERN1 O75460 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
DAO P14920 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL20937296 0.83 ITK (0.44) ALDH1A1MTNR1AMTNR1BNQO2HRH4
SCHEMBL31501965 0.81 CYP2A6 (0.37) ALDH1A1CYP2A6NQO2ERN1KDM4E
SCHEMBL26660799 0.81 CYP2A6 (0.37) ALDH1A1CYP2A6NQO2ERN1KDM4E
SCHEMBL29955346 0.80 ALDH1A1 (0.52) ALDH1A1MTNR1AMTNR1BNQO2HRH4
SCHEMBL28059088 0.79 CYP19A1 (0.48) ALDH1A1CYP2A6NQO2ERN1PDE3B
SCHEMBL2668598 0.78 SLC40A1 (0.55) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL5366835 0.77 DAO (0.53) ALDH1A1CYP2A6HRH4DAOKDM4E
SCHEMBL13360133 0.77 LMNA (0.40) ALDH1A1CYP2A6MAPTKMT2ALMNA
SCHEMBL31501813 0.76 MAPT (0.51) CYP2A6ERN1MAPTHTTSMN1; SMN2
SCHEMBL26660827 0.76 MAPT (0.51) CYP2A6ERN1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-20 US disclosed
CN-119855589-A Heterocyclic PAD4 inhibitors 细胞基因公司 2025-04-18 CN disclosed
WO-2023230612-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
WO-2023230612-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
CN-111225915-B Imidazopyridine compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-07 CN disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 EP disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors Jubilant Epipad LLC (US) 2022-08-30 US disclosed
EP-3697785-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2020-08-26 EP disclosed
US-20200237771-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-07-30 US disclosed
US-20200237771-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-07-30 US disclosed
CN-111225915-A Imidazopyridine compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2020-06-02 CN disclosed
WO-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 WO disclosed
WO-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 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-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI1, PADI6 ALDH1A1 163/4885CYP2A6 1160/4885MTNR1A 4495/4885
US-20200237771-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS PADI4, PADI1, PADI2 ALDH1A1 402/4885CYP2A6 719/4885MTNR1A 4492/4885
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors PADI4, PADI1, PADI2 ALDH1A1 402/4885CYP2A6 719/4885MTNR1A 4492/4885

“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.