SCHEMBL16631399

SCHEMBL16631399

Cn1cc(Cc2cn(-c3ccccc3)nn2)c(N)nc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
ESRRA P11474 1/20 0.43
NPC1 O15118 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GLA P06280 1/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
GSK3B P49841 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18080380 0.87 NOTUM (0.46) NOTUMMAOAL3MBTL1CD74MIF
SCHEMBL16631387 0.81 MPO (0.51) MAOANPC1AMY1A
SCHEMBL16631911 0.78 KCNMA1 (0.46) NOTUMMAOACD74MIFDRD2
SCHEMBL18081911 0.77 EP300 (0.38) AMY1A
SCHEMBL16631690 0.77 L3MBTL1 (0.47) NOTUMMAOAL3MBTL1CD74MIF
SCHEMBL16631213 0.77 ADK (0.39) NOTUMMAOAL3MBTL1CD74MIF
SCHEMBL16631731 0.76 KCNMA1 (0.54) NPC1
SCHEMBL18081738 0.76 CA1 (0.43) NOTUMMAOAMIFESRRAPTGS2
SCHEMBL18081720 0.76 LRRK2 (0.32)
SCHEMBL16631367 0.74 LMNA (0.48) CA12CA9CA1CA2

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 NOTUM 3141/4885MAOA 3394/4885L3MBTL1 659/4885

“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.