SCHEMBL18655893

SCHEMBL18655893

NNc1ccc(Br)c(OCC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.49
CDK2 P24941 3/20 0.36
EP300 Q09472 1/20 0.34
LRRK2 Q5S007 1/20 0.34
GSK3B P49841 1/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL18655892 0.76 CNR2 (0.46) CNR2CDK2EP300
SCHEMBL31470132 0.74 CNR2 (0.47) CNR2EP300PARP15PARP10PARP2
SCHEMBL26653945 0.74 CNR2 (0.47) CNR2EP300PARP15PARP10PARP2
SCHEMBL26654201 0.73 CNR2 (0.46) CNR2CDK2EP300CCNA2CCNA1
SCHEMBL26654219 0.73 CNR2 (0.46) CNR2CDK2EP300LRRK2
SCHEMBL30657964 0.73 CNR2 (0.46) CNR2CDK2EP300LRRK2
SCHEMBL14152124 0.72 CNR2 (0.60) CNR2
SCHEMBL30785769 0.72 CNR2 (0.60) CNR2
SCHEMBL31470086 0.71 CNR2 (0.60) CNR2
SCHEMBL14151695 0.71 CNR2 (0.60) CNR2

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
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 CNR2 4598/4885CDK2 1378/4885EP300 3745/4885

“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.