SCHEMBL18632516

SCHEMBL18632516

O=c1[nH]c2ccc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.67
PDE3A Q14432 2/20 0.67
GRIA1 P42261 6/20 0.58
CACNG8 Q8WXS5 6/20 0.58
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
LYN P07948 1/20 0.56
RET P07949 1/20 0.56
PIM1 P11309 1/20 0.56
FER P16591 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
SYK P43405 1/20 0.56
GSK3A P49840 1/20 0.56

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
SCHEMBL18190680 0.86 PDE3B (0.53) PDE3BPDE3AGRIA1CACNG8PLK4
SCHEMBL16586670 0.83 PDE3B (0.49) PDE3BPDE3AGRIA1CACNG8PLK4
SCHEMBL8900615 0.81 PDE3A (0.62) PDE3BPDE3APLK4CHEK1PRKD3
SCHEMBL28528908 0.81 GRIA1 (0.65) PDE3BPDE3AGRIA1CACNG8GAA
SCHEMBL8264638 0.81 GRIA1 (0.65) PDE3BPDE3AGRIA1CACNG8CLK4
SCHEMBL980513 0.81 GRIA1 (0.60) PDE3BPDE3AGRIA1CACNG8MAP4K4
SCHEMBL31192609 0.80 PDE3B (1.00) PDE3BPDE3AGRIA1CACNG8GRIK1
SCHEMBL10492852 0.79 MAPT (0.59) PDE3BPDE3AGSK3BCDK5CLK4
SCHEMBL20773351 0.78 PDE3B (0.56) PDE3BPDE3AGRIA1CACNG8PLK4
SCHEMBL30832786 0.78 PDE3B (0.65) PDE3BPDE3AGRIA1CACNG8ALDH1A1

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 3 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
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 PDE3B 1028/4885PDE3A 701/4885GRIA1 2182/4885

“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.