SCHEMBL16631913

SCHEMBL16631913

Cn1cc(Cn2cc(-c3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC1 Q13547 6/20 0.47
HDAC2 Q92769 6/20 0.47
KDR P35968 3/20 0.46
EPHB4 P54760 2/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTGS2 P35354 2/20 0.45
NLRP3 Q96P20 1/20 0.44
TEK Q02763 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42

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
SCHEMBL18080400 0.88 CYP19A1 (0.50) CYP19A1NPC1RAB9AHDAC1HDAC2
SCHEMBL16631915 0.81 KCNMA1 (0.55) CYP19A1NPC1RAB9A
SCHEMBL16631909 0.79 MAPK1 (0.34) HDAC1
SCHEMBL16631902 0.78 CYP19A1 (0.52) CYP19A1NPC1RAB9AHDAC1HDAC2
SCHEMBL16631733 0.77 CYP19A1 (0.51) CYP19A1NPC1RAB9AHDAC1HDAC2
SCHEMBL18081754 0.76 CHRNE (0.35) CYP19A1HDAC1
SCHEMBL16631692 0.76 CYP19A1 (0.50) CYP19A1NPC1RAB9A
SCHEMBL16631321 0.75 BCHE (0.50) KDRPTGS2
SCHEMBL16631910 0.75 MEN1 (0.31) MEN1KMT2A
SCHEMBL16631427 0.73 P2RY2 (0.52)

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 CYP19A1 4868/4885NPC1 1636/4885RAB9A 3376/4885

“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.