SCHEMBL16631907

SCHEMBL16631907

Cn1cc(-n2cc(-c3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
PTGS2 P35354 2/20 0.44
CA1 P00915 2/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PTGS1 P23219 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
LDHA P00338 1/20 0.40
TLR8 Q9NR97 2/20 0.40
OGT O15294 1/20 0.40
MIF P14174 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38

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
SCHEMBL18080389 0.84 BCHE (0.46) BCHEABCG2ABCB1CA12CA2
SCHEMBL16631911 0.79 KCNMA1 (0.46) TLR8MIF
SCHEMBL16631322 0.77 LRRK2 (0.42)
SCHEMBL18081738 0.76 CA1 (0.43) CA12CA2CA9PTGS2CA1
SCHEMBL16631733 0.76 CYP19A1 (0.51) PTGS2
SCHEMBL16631321 0.75 BCHE (0.50) BCHEABCG2ABCB1CA12CA2
SCHEMBL16631324 0.74 EP300 (0.34)
SCHEMBL16631326 0.74 EGLN2 (0.36)
SCHEMBL16631603 0.71 ADORA3 (0.53) CA12CA2CA9CA1LMNA
SCHEMBL28037853 0.69 FLT3 (0.67) BCHEABCG2ABCB1CA12CA2

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 BCHE 4219/4885ABCG2 2798/4885ABCB1 2751/4885

“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.