SCHEMBL2729271

SCHEMBL2729271

C=CCc1ccc(F)c(C#N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL2728264 0.83 P2RX7 (0.38) P2RX7PDCD1LG2CD274
SCHEMBL18809830 0.77 P2RX7 (0.38) P2RX7PDCD1LG2CD274
SCHEMBL18810349 0.77 PDCD1LG2 (0.43) P2RX7PDCD1LG2CD274
SCHEMBL7715190 0.76 GABRA1 (0.38) PTGDRPTGDR2
SCHEMBL14720110 0.74 ALDH1A1 (0.32)
SCHEMBL4592838 0.73 ALDH1A1 (0.42) P2RX7
SCHEMBL14660917 0.72 P2RX7 (0.47) P2RX7
SCHEMBL21609017 0.72 BCAT2 (0.39) P2RX7PDCD1LG2CD274
SCHEMBL8119989 0.70 ALDH1A1 (0.39) P2RX7
SCHEMBL14863560 0.70 AR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 P2RX7 761/4885PDCD1LG2 2631/4885CD274 2190/4885

“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.