SCHEMBL16631911

SCHEMBL16631911

Cn1cc(-n2cc(Cc3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.46
MIF P14174 2/20 0.46
CD74 P04233 1/20 0.46
TLR8 Q9NR97 2/20 0.43
CDC7 O00311 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL18080392 0.86 KCNMA1 (0.45) KCNMA1MIFCD74TLR8CDC7
SCHEMBL16631324 0.82 EP300 (0.34) ROCK1NOTUM
SCHEMBL16631731 0.79 KCNMA1 (0.54) KCNMA1HRH4HRH3
SCHEMBL16631907 0.79 BCHE (0.49) MIFTLR8
SCHEMBL16631399 0.78 NOTUM (0.49) MIFCD74GSK3BDRD2DRD4
SCHEMBL16631388 0.77 KCNMA1 (0.47) KCNMA1MIFCD74TLR8CDC7
SCHEMBL16631322 0.74 LRRK2 (0.42) BRD4NOTUM
SCHEMBL16631326 0.74 EGLN2 (0.36)
SCHEMBL16631387 0.74 MPO (0.51) KCNMA1MAOAHRH4
SCHEMBL16631623 0.74 ADORA3 (0.55) ADORA1ADORA2AADORA3

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 KCNMA1 4287/4885MIF 3390/4885CD74 924/4885

“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.