SCHEMBL16631902

SCHEMBL16631902

Cn1cc(-c2cn(Cc3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.52
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PIK3CA P42336 1/20 0.45
KDR P35968 3/20 0.44
EPHB4 P54760 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 1/20 0.43
GSK3B P49841 3/20 0.43
FLT3 P36888 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL18080363 0.85 CYP19A1 (0.50) CYP19A1CCNKCDK12NPC1RAB9A
SCHEMBL26958707 0.85 HSP90AA1 (0.38) CYP19A1CCNKCDK12NPC1RAB9A
SCHEMBL16631896 0.81 CCNK (0.42) CCNKCDK12MEN1KMT2AHDAC3
SCHEMBL16631692 0.78 CYP19A1 (0.50) CYP19A1NPC1RAB9AHRH4
SCHEMBL16631901 0.78 PIK3CA (0.43) PIK3CAKDRFLT3PTGS2CDC7
SCHEMBL16631913 0.78 CYP19A1 (0.52) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL26958706 0.77 TNKS (0.38) PIK3CACDK2PIM1HDAC3HDAC4
SCHEMBL16631715 0.77 CYP19A1 (0.51) CYP19A1CCNKCDK12NPC1RAB9A
SCHEMBL16631899 0.75 BRD4 (0.35) GSK3BMAPK1DYRK1AKDM4AKDM5C
SCHEMBL22510634 0.74 CYP19A1 (0.82) CYP19A1CCNKCDK12NPC1RAB9A

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 4868/4885CCNK 2597/4885CDK12 2045/4885

“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.