SCHEMBL16631733

SCHEMBL16631733

Cn1cc(Cn2cc(-c3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PTGS2 P35354 2/20 0.47
KDR P35968 4/20 0.46
EPHB4 P54760 2/20 0.46
TEK Q02763 2/20 0.45
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NLRP3 Q96P20 1/20 0.43
ALOX5 P09917 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
PTGES2 Q9H7Z7 1/20 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
SCHEMBL18080401 0.87 NPC1 (0.49) CYP19A1HDAC1HDAC2NPC1RAB9A
SCHEMBL16631731 0.81 KCNMA1 (0.54) CYP19A1NPC1RAB9A
SCHEMBL16631917 0.79 DPP4 (0.35) HDAC1HDAC2
SCHEMBL16631715 0.78 CYP19A1 (0.51) CYP19A1HDAC1HDAC2NPC1RAB9A
SCHEMBL16631913 0.77 CYP19A1 (0.52) CYP19A1HDAC1HDAC2NPC1RAB9A
SCHEMBL16631641 0.77 ADK (0.43) CYP19A1HDAC1HDAC2NPC1RAB9A
SCHEMBL16631387 0.76 MPO (0.51) CYP19A1NPC1RAB9A
SCHEMBL16631907 0.76 BCHE (0.49) PTGS2
SCHEMBL16631734 0.76 NTRK1 (0.31) MEN1KMT2A
SCHEMBL16631908 0.72 PTGDR2 (0.38) 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 CYP19A1 4868/4885HDAC1 4755/4885HDAC2 4811/4885

“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.