SCHEMBL20066471

SCHEMBL20066471

CCC(C)(C)c1cnc2[nH]cnc2c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL18687268 0.87
SCHEMBL84138 0.82 PDPK1 (0.37) PDPK1PARP1
SCHEMBL19251501 0.81
SCHEMBL19840167 0.79 PDPK1 (0.32) PDPK1PARP1
SCHEMBL22778678 0.79 EPHX1 (0.30)
SCHEMBL28794878 0.75 PARP1 (0.47) PARP1
SCHEMBL10290324 0.75 KCNH2 (0.36)
SCHEMBL18924518 0.75 PDPK1 (0.31) PDPK1
SCHEMBL2633081 0.73 MAPK1 (0.38) PARP1
SCHEMBL18427601 0.72 CDK8 (0.45) PDPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 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-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PDPK1 3991/4885PARP1 1618/4885

“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.