SCHEMBL18632539

SCHEMBL18632539

O=c1[nH]nc2ccc(-c3ccccc3)c(OCC3CC3)n12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.37
RET P07949 1/20 0.36
MET P08581 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MST1R Q04912 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1A Q13627 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALK Q9UM73 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE1C Q14123 4/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL18632540 0.85 CNR1 (0.36) PRMT5WDR77PDE5AGABRA1GABRA2
SCHEMBL18664113 0.67 HRH3 (0.38) EP300PTGS1PTGS2IKBKBCHUK
SCHEMBL14492478 0.65 CHEK1 (0.52) RETMETLTKGRK5CDK8
SCHEMBL13370771 0.64 TP53 (0.53) IKBKBCHUKPDE5AMAOB
SCHEMBL29788194 0.64 TP53 (0.53) IKBKBCHUKPDE5AMAOB
SCHEMBL18632529 0.63 NOTUM (0.38) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL18632524 0.63 PDE3B (0.47) RETMETLTKGRK5CDK8
SCHEMBL18632543 0.63 PDE1A (0.38) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL18655890 0.63 CHEK1 (0.34) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL16324213 0.62 MAOA (0.43) PDE3BPDE3APDE1APDE1BPDE1C

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
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

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 EP300 3745/4885RET 840/4885MET 900/4885

“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.