SCHEMBL17682018

SCHEMBL17682018

C#C[C@@H](O)c1cccnc1C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL17681988 1.00 P2RX7 (0.35) P2RX7GAAMKNK1MKNK2
SCHEMBL8020852 0.81 TSHR (0.39)
SCHEMBL11072786 0.78 P2RX7 (0.40) P2RX7GAAMKNK1MKNK2
SCHEMBL22031546 0.78 NAPRT (0.39)
SCHEMBL17679295 0.77 KDM4E (0.31)
SCHEMBL17679296 0.77 KDM4E (0.31)
SCHEMBL24113945 0.76 P2RX7 (0.39) P2RX7GAAMKNK1MKNK2
SCHEMBL5698980 0.76 P2RX7 (0.39) P2RX7GAAMKNK1MKNK2
SCHEMBL23489779 0.76 P2RX7 (0.39) P2RX7GAAMKNK1MKNK2
SCHEMBL15927758 0.76 P2RX7 (0.39) P2RX7GAAMKNK1MKNK2

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-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-04-14 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-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR2 P2RX7 332/4885GAA 2254/4885MKNK1 3130/4885

“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.