SCHEMBL18080403

SCHEMBL18080403

CCc1cn(Cc2cn(C(C)C)c(=O)nc2N)nn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.36
TYR P14679 3/20 0.34
KCNMA1 Q12791 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL18081748 0.86 EP300 (0.40) EP300CYP19A1
SCHEMBL18080404 0.85 KCNMA1 (0.52) TYRKCNMA1HSP90AB1CYP19A1
SCHEMBL18080398 0.85 DPP4 (0.33) EP300
SCHEMBL18080402 0.84 NTRK1 (0.36)
SCHEMBL18080378 0.82 EP300 (0.34) EP300
SCHEMBL16631732 0.82 EP300 (0.41) EP300CYP19A1
SCHEMBL22327308 0.81 CDK1 (0.33)
SCHEMBL18080369 0.79 MPO (0.48) TYRKCNMA1CYP19A1
SCHEMBL18080401 0.79 NPC1 (0.49) CYP19A1
SCHEMBL18080397 0.78 PTGDR2 (0.36) CYP19A1

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 4033/4885TYR 3563/4885KCNMA1 4287/4885

“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.