SCHEMBL20548637

SCHEMBL20548637

O=c1onc(Cc2c(F)cccc2Cl)n1Cc1cncnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
DAO P14920 1/20 0.36
CYP2A13 Q16696 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL30314446 1.00 KCNK13 (0.40) KCNK13TP53MAPTNPC1GLA
SCHEMBL30314421 0.89 GRIN1 (0.44) TP53MAPTNPC1GLARAB9A
SCHEMBL20548558 0.89 GRIN1 (0.44) TP53MAPTNPC1GLARAB9A
SCHEMBL20548428 0.89 SMN1; SMN2 (0.41) KCNK13TP53MAPTNPC1GLA
SCHEMBL30314437 0.89 SMN1; SMN2 (0.41) KCNK13TP53MAPTNPC1GLA
SCHEMBL20548417 0.89 LMNA (0.50) TP53MAPTNPC1GLARAB9A
SCHEMBL30314418 0.89 LMNA (0.50) TP53MAPTNPC1GLARAB9A
SCHEMBL20548652 0.87 ALDH1A1 (0.50) TP53MAPTNPC1GLARAB9A
SCHEMBL20548546 0.87 ALDH1A1 (0.50) TP53MAPTNPC1GLARAB9A
SCHEMBL30314486 0.87 ALDH1A1 (0.50) TP53MAPTNPC1GLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US claimed
EP-3619200-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2020-03-11 EP claimed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US claimed
WO-2018202694-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2018-11-08 WO claimed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP claimed
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 KCNK13 761/4885TP53 3999/4885MAPT 4279/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 KCNK13 761/4885TP53 3999/4885MAPT 4279/4885

“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.