SCHEMBL19953000

SCHEMBL19953000

N#Cc1c(-c2ccccc2)c2c([nH]c1=O)CCC2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.71
HSD11B1 P28845 2/20 0.58
ALDH1A1 P00352 5/20 0.50
CUL4A Q13619 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
APOBEC3G Q9HC16 2/20 0.50
MAPK10 P53779 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
IDO1 P14902 1/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.49
ADORA2A P29274 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17351484 0.97 PDE9A (0.76) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL17351326 0.96 PDE9A (0.74) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL18060293 0.82 PDE9A (0.70) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL17351380 0.82 PDE9A (0.62) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL15573256 0.81 PDE9A (0.61) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL17351341 0.81 PDE9A (0.61) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL17351400 0.79 PDE9A (0.70) PDE9AHSD11B1ALDH1A1CUL4AKDM4E
SCHEMBL18719837 0.79 PDE9A (0.73) PDE9AALDH1A1CUL4AKDM4EMEN1
SCHEMBL18060139 0.79 PDE9A (0.53) PDE9AHSD11B1ALDH1A1KDM4EMEN1
SCHEMBL17351291 0.79 PDE9A (0.65) PDE9AHSD11B1ALDH1A1CUL4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
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-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
EP-3510025-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PDE9A 911/4885HSD11B1 528/4885ALDH1A1 956/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PDE9A 911/4885HSD11B1 528/4885ALDH1A1 956/4885

“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.