SCHEMBL20937883

SCHEMBL20937883

COC(=O)c1ccn2c(C)c(-c3[nH]c4ccccc4c3Br)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT3 P36888 1/20 0.41
FTO Q9C0B1 1/20 0.40
NR4A2 P43354 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL30276230 1.00 KIF11 (0.46) KIF11AKT1AKT2MAPTKDM4E
SCHEMBL28399640 0.89 AKT1 (0.38) AKT1AKT2MAPTKDM4EALDH1A1
SCHEMBL20937885 0.82 PADI4 (0.35) AKT1AKT2MAPTKDM4EALDH1A1
SCHEMBL31091925 0.78 AKT1 (0.46) AKT1AKT2MAPTKDM4EALDH1A1
SCHEMBL20937699 0.77 PTGER4 (0.46) AKT1AKT2MAPTKDM4EALDH1A1
SCHEMBL20937231 0.73 PTGER4 (0.48) AKT1AKT2ADORA3
SCHEMBL30276188 0.73 PTGER4 (0.48) AKT1AKT2ADORA3
SCHEMBL31298326 0.73 ALDH1A1 (0.41) AKT1AKT2KDM4EALDH1A1HSD17B10
SCHEMBL20920821 0.72 AKT1 (0.49) AKT1AKT2MAPTKDM4EALDH1A1
SCHEMBL976070 0.72 KDM4E (0.48) AKT1AKT2MAPTKDM4EALDH1A1

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
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-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors Jubilant Epipad LLC (US) 2022-08-30 US 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
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 (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-20200237771-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS PADI4, PADI1, PADI2 KIF11 3758/4885AKT1 1915/4885AKT2 2837/4885
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors PADI4, PADI1, PADI2 KIF11 3758/4885AKT1 1915/4885AKT2 2837/4885

“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.