SCHEMBL4498726

SCHEMBL4498726

O=C(O)c1ccnc(-c2ccccc2F)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.64
KDM5C P41229 5/20 0.61
KDM4E B2RXH2 5/20 0.61
KDM4A O75164 4/20 0.61
KDM2A Q9Y2K7 3/20 0.61
KDM3A Q9Y4C1 3/20 0.61
KDM6B O15054 2/20 0.61
KDM5B Q9UGL1 6/20 0.55
KDM5A P29375 5/20 0.55
CTSA P10619 1/20 0.53
P4HA1 P13674 1/20 0.51
MAOA P21397 1/20 0.50
BLVRB P30043 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4B O94953 1/20 0.49
JMJD6 Q6NYC1 1/20 0.48

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
SCHEMBL6225844 0.86 KDM4C (0.58) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL3721276 0.84 KDM4C (0.54) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL21311015 0.83 KDM4C (0.59) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL28883634 0.82 KDM4C (0.66) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL14226704 0.82 CTSA (0.49) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL14241075 0.82 ADORA2A (0.52) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL4901822 0.82 MAOA (0.62) KDM4CKDM5CKDM4EKDM4AKDM2A
Bromide SCHEMBL6222773 0.81 CTSA (0.48) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL21310984 0.81 KDM4C (0.68) KDM4CKDM5CKDM4EKDM4AKDM2A
SCHEMBL30775344 0.81 KDM4C (0.68) KDM4CKDM5CKDM4EKDM4AKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 KDM4C 1206/4885KDM5C 1591/4885KDM4E 1047/4885

“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.