SCHEMBL508713

SCHEMBL508713

CCc1nn(CC(OP(=O)(O)O)(C(C)(C)C)C(C)(C)C)c(CC)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
PGR P06401 5/20 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
SCHEMBL508712 0.92 KCNH2 (0.42) KCNH2PGR
SCHEMBL508856 0.81 KCNH2 (0.44) KCNH2PGR
SCHEMBL1347124 0.78 KCNH2 (0.42) KCNH2PGR
SCHEMBL1347126 0.78 KCNH2 (0.51) KCNH2PGR
SCHEMBL508714 0.77 KCNH2 (0.40) KCNH2PGR
SCHEMBL5226673 0.76 KCNH2 (0.47) KCNH2PGR
SCHEMBL5224343 0.76 KCNH2 (0.49) KCNH2PGR
Lersivirine SCHEMBL508446 0.76 KCNH2 (0.49) KCNH2PGR
SCHEMBL509696 0.75 PGR (0.48) KCNH2PGR
SCHEMBL10250855 0.75 KCNH2 (0.36) KCNH2PGR

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-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 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-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885PGR 891/4885

“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.