SCHEMBL18080418

SCHEMBL18080418

CCc1cn(Cn2cc(C(C)C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.33
TYMP P19971 1/20 0.31
HTT P42858 1/20 0.31
CA9 Q16790 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
SCHEMBL18080421 0.84 KCNMA1 (0.42)
SCHEMBL18080416 0.84 TYMP (0.34) TYMPHTT
SCHEMBL18080420 0.84 TYMP (0.32) TYMPHTT
SCHEMBL16631677 0.83 MAPK1 (0.44) EP300TYMP
SCHEMBL18080405 0.82 EP300 (0.39) EP300CA9
SCHEMBL18080424 0.78 CYP19A1 (0.43)
SCHEMBL18080414 0.76 TYMP (0.32) TYMPHTT
SCHEMBL16631711 0.75 TK1 (0.33) HTT
SCHEMBL18080415 0.75 CYP19A1 (0.48)
SCHEMBL13384443 0.74 SMN1; SMN2 (0.40) TYMPHTT

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 EP300 4033/4885TYMP 40/4885HTT 505/4885

“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.