SCHEMBL16631326

SCHEMBL16631326

CC(C)c1cn(-c2cn(C)c(=O)nc2N)nn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.36
ESRRA P11474 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL18080390 0.84 EGLN2 (0.35) EGLN2ESRRAOPRM1OPRL1
SCHEMBL16631322 0.81 LRRK2 (0.42) EGLN2
SCHEMBL16631324 0.77 EP300 (0.34)
SCHEMBL16631907 0.74 BCHE (0.49)
SCHEMBL16631734 0.74 NTRK1 (0.31)
SCHEMBL16631911 0.74 KCNMA1 (0.46)
SCHEMBL18081752 0.72 EGLN2 (0.39) EGLN2OPRM1OPRL1
SCHEMBL16631389 0.72 NOTUM (0.37) EGLN2
SCHEMBL18165658 0.70
SCHEMBL18080391 0.66 IRAK4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 EGLN2 3279/4885ESRRA 4427/4885OPRM1 1487/4885

“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.