SCHEMBL16631388

SCHEMBL16631388

Cn1cc(-n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.47
CD74 P04233 1/20 0.47
MIF P14174 1/20 0.47
TK1 P04183 2/20 0.43
TK2 O00142 1/20 0.43
MAPK1 P28482 2/20 0.42
CDC7 O00311 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 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
SCHEMBL18080384 0.85 KCNMA1 (0.46) KCNMA1CD74MIFTK1TK2
SCHEMBL18081899 0.81 CA9 (0.35)
SCHEMBL16631915 0.78 KCNMA1 (0.55) KCNMA1TK1TK2HPGDHRH4
SCHEMBL16631321 0.78 BCHE (0.50) TK1TK2LMNA
SCHEMBL16631690 0.78 L3MBTL1 (0.47) CD74MIFGSK3BDRD2DRD4
SCHEMBL16631911 0.77 KCNMA1 (0.46) KCNMA1CD74MIFMAPK1CDC7
SCHEMBL16631318 0.74 EGLN2 (0.39) MAPK1DAO
SCHEMBL18081752 0.73 EGLN2 (0.39) DAO
SCHEMBL16631692 0.73 CYP19A1 (0.50) KCNMA1HRH4
SCHEMBL16631370 0.73 ADORA3 (0.53) TK1TK2

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 4287/4885CD74 924/4885MIF 3390/4885

“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.