SCHEMBL18632543

SCHEMBL18632543

O=c1[nH]nc2ccc(Br)c(Oc3ccccc3)n12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.38
PDE1B Q01064 5/20 0.38
PDE3B Q13370 5/20 0.38
PDE1C Q14123 5/20 0.38
PDE3A Q14432 5/20 0.38
PDE5A O76074 4/20 0.38
NOTUM Q6P988 4/20 0.37
CHEK1 O14757 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.36
NTRK3 Q16288 2/20 0.36
NTRK2 Q16620 2/20 0.36
SCN5A Q14524 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL18632529 0.78 NOTUM (0.38) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL18632515 0.75 CHEK1 (0.39) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL18632518 0.69 SCN5A (0.51) PDE3BPDE3APDE5ANOTUMMEN1
SCHEMBL13114979 0.66 CHEK1 (0.43) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL1602164 0.64 CHEK1 (0.54) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL8502222 0.64 HTT (0.48) NTRK1NTRK3NTRK2AADATIGF1R
SCHEMBL22326061 0.64 BRD4 (0.38) MEN1KMT2A
SCHEMBL18632524 0.63 PDE3B (0.47) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL15886682 0.60 CHEK1 (0.49) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL20996080 0.60 CHEK1 (0.39) PDE1APDE1BPDE3BPDE1CPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 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 (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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT PDE1A 1477/4885PDE1B 1609/4885PDE3B 1028/4885

“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.