SCHEMBL18632522

SCHEMBL18632522

O=c1[nH]nc2cccc(-c3ncccn3)n12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.38
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
PDE5A O76074 2/20 0.33
GRM2 Q14416 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL18632524 0.78 PDE3B (0.47) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL18663957 0.75 PDE1A (0.40) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL11088652 0.72 CHEK1 (0.49) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL13114978 0.71 NOTUM (0.43) CHEK1GRM2NOTUM
SCHEMBL17403218 0.68 CHEK1 (0.42) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL20996080 0.68 CHEK1 (0.39) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL19646489 0.68 CHEK1 (0.42) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL21034104 0.64 CHEK1 (0.35) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL560634 0.63 MAPT (0.54) CHEK1PDE3BPDE3APDE1APDE1B
SCHEMBL1991156 0.63 CHEK1 (0.40) CHEK1PDE3BPDE3APDE1APDE1B

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 CHEK1 1722/4885PDE3B 1028/4885PDE3A 701/4885

“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.