SCHEMBL23988616

SCHEMBL23988616

CCC(=O)COc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
ATR Q13535 1/20 0.40
GCK P35557 2/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
IGF1R P08069 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIOK2 Q9BVS4 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.38
SREBF2 Q12772 1/20 0.37
GSK3A P49840 1/20 0.37
MAPK10 P53779 1/20 0.37
AAK1 Q2M2I8 2/20 0.37

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
SCHEMBL23988606 0.87 P2RX3 (0.44) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL21045949 0.87 RAB9A (0.49) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL21081212 0.85 P2RX3 (0.44) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL12888266 0.84 P2RX3 (0.46) P2RX3ATRGCKNPC1RAB9A
SCHEMBL21999272 0.82 KMT2A (0.47) P2RX3GCKNPC1RAB9AKDM4E
SCHEMBL3938343 0.81 RIOK2 (0.51) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL30427105 0.81 RIOK2 (0.51) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL28810856 0.81 ALDH1A1 (0.45) P2RX3ATRGSK3BIGF1RKDM4E
SCHEMBL21999303 0.81 P2RX3 (0.42) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL25596870 0.80 P2RX3 (0.41) P2RX3ATRGCKGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2021-11-04 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 (1 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-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP P2RX3 548/4885ATR 1968/4885GCK 3154/4885

“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.