SCHEMBL16631908

SCHEMBL16631908

Cn1cc(Cn2ccnn2)c(N)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CYP19A1 P11511 7/20 0.38
CCR1 P32246 10/20 0.36
CCR2 P41597 10/20 0.36
CCR4 P51679 9/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KLKB1 P03952 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
SCHEMBL18080397 0.85 PTGDR2 (0.36) PTGDR2CYP19A1CCR1CCR2CCR4
SCHEMBL16631917 0.78 DPP4 (0.35)
SCHEMBL18081748 0.76 EP300 (0.40) CYP19A1
SCHEMBL19663162 0.76 DHFR (0.33) CYP2C9CYP2C19
SCHEMBL16631734 0.75 NTRK1 (0.31)
SCHEMBL16631906 0.73 CYP19A1 (0.38) PTGDR2CYP19A1CCR1CCR2CCR4
SCHEMBL16631389 0.73 NOTUM (0.37) CYP2C9CYP2C19
SCHEMBL16257876 0.73 TBK1 (0.32)
SCHEMBL16631733 0.72 CYP19A1 (0.51) CYP19A1
SCHEMBL16631731 0.71 KCNMA1 (0.54) 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 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 PTGDR2 4408/4885CYP19A1 4868/4885CCR1 3027/4885

“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.