SCHEMBL16631715

SCHEMBL16631715

Cn1cc(-c2cn(Cc3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDR P35968 4/20 0.46
GSK3B P49841 4/20 0.46
ROCK2 O75116 3/20 0.46
MAPK1 P28482 3/20 0.46
GSK3A P49840 3/20 0.46
AURKA O14965 2/20 0.46
CHUK O15111 2/20 0.46
MAPK13 O15264 2/20 0.46
DAPK3 O43293 2/20 0.46
JAK2 O60674 2/20 0.46
CHEK2 O96017 2/20 0.46
PRKCG P05129 2/20 0.46
CDK1 P06493 2/20 0.46
FGFR1 P11362 2/20 0.46
PRKACA P17612 2/20 0.46
CDK2 P24941 2/20 0.46
MARK3 P27448 2/20 0.46

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
SCHEMBL18080358 0.85 CYP19A1 (0.48) CYP19A1NPC1RAB9AKDRGSK3B
SCHEMBL16631904 0.82 RET (0.43) CCNKCDK12
SCHEMBL16631387 0.79 MPO (0.51) CYP19A1NPC1RAB9AHRH4
SCHEMBL18081738 0.79 CA1 (0.43) KDRCDC7PTGS2FLT3
SCHEMBL16631733 0.78 CYP19A1 (0.51) CYP19A1NPC1RAB9AKDRGSK3B
SCHEMBL19288896 0.78 CYP19A1 (0.51) CYP19A1NPC1RAB9AKDRGSK3B
SCHEMBL16631902 0.77 CYP19A1 (0.52) CYP19A1NPC1RAB9AKDRGSK3B
SCHEMBL16631905 0.76 BRD4 (0.35) GSK3BDYRK1A
SCHEMBL16631731 0.74 KCNMA1 (0.54) CYP19A1NPC1RAB9AHRH4
SCHEMBL16631543 0.74 ADORA3 (0.54) RAB9AALDH1A1LMNA

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.