SCHEMBL18632515

SCHEMBL18632515

O=c1[nH]nc2cccc(Oc3ccccc3)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE3B Q13370 4/20 0.38
PDE1C Q14123 4/20 0.38
PDE3A Q14432 4/20 0.38
PDE5A O76074 3/20 0.38
NOTUM Q6P988 5/20 0.37
GRM2 Q14416 1/20 0.37
CYP1A2 P05177 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
NTRK1 P04629 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
DAO P14920 2/20 0.34
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
SCN5A Q14524 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
SCHEMBL18632543 0.75 PDE1A (0.38) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL18632524 0.72 PDE3B (0.47) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL18632529 0.70 NOTUM (0.38) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL13114979 0.69 CHEK1 (0.43) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL20996080 0.69 CHEK1 (0.39) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL17403218 0.69 CHEK1 (0.42) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL18632518 0.69 SCN5A (0.51) PDE3BPDE3APDE5ANOTUMAADAT
SCHEMBL8502222 0.67 HTT (0.48) CYP1A2AADATNTRK1IGF1RFGFR1
SCHEMBL16887809 0.66 PDE10A (0.40)
SCHEMBL19646489 0.66 CHEK1 (0.42) CHEK1PDE1APDE1BPDE3BPDE1C

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
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
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

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 CHEK1 1722/4885PDE1A 1477/4885PDE1B 1609/4885

“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.