SCHEMBL16631731

SCHEMBL16631731

Cn1cc(Cn2cc(Cc3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.54
MPO P05164 1/20 0.43
CYP19A1 P11511 7/20 0.43
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 3/20 0.41
EP300 Q09472 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AB1 P08238 1/20 0.38
TYR P14679 2/20 0.37

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
SCHEMBL16631387 0.91 MPO (0.51) KCNMA1MPOCYP19A1HRH4NPC1
SCHEMBL18080404 0.89 KCNMA1 (0.52) KCNMA1MPOCYP19A1HRH4HRH3
SCHEMBL18081748 0.83 EP300 (0.40) CYP19A1EP300
SCHEMBL16631733 0.81 CYP19A1 (0.51) CYP19A1NPC1RAB9A
SCHEMBL18080369 0.81 MPO (0.48) KCNMA1MPOCYP19A1HRH4NPC1
SCHEMBL16631911 0.79 KCNMA1 (0.46) KCNMA1HRH4HRH3
SCHEMBL18081911 0.78 EP300 (0.38) MPOEP300
SCHEMBL16631915 0.78 KCNMA1 (0.55) KCNMA1MPOCYP19A1HRH4HRH3
SCHEMBL16631917 0.77 DPP4 (0.35) EP300
SCHEMBL16631734 0.77 NTRK1 (0.31) EP300

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 KCNMA1 4287/4885MPO 2859/4885CYP19A1 4868/4885

“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.