SCHEMBL16631389

SCHEMBL16631389

Cn1cc(-n2ccnn2)c(N)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.37
EGLN2 Q96KS0 5/20 0.33
MAP3K5 Q99683 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOA P21397 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL18080386 0.81 NOTUM (0.36) NOTUMEGLN2MAP3K5
SCHEMBL16631322 0.75 LRRK2 (0.42) NOTUMEGLN2
SCHEMBL16631908 0.73 PTGDR2 (0.38) CYP2C9CYP2C19
SCHEMBL16631259 0.72 ADK (0.41)
SCHEMBL3368241 0.72 NOTUM (0.40) NOTUMEGLN2MAP3K5
SCHEMBL16631326 0.72 EGLN2 (0.36) EGLN2
SCHEMBL16631324 0.72 EP300 (0.34) NOTUM
SCHEMBL16631440 0.70 CRBN (0.38) NOTUMEGLN2
SCHEMBL16631907 0.69 BCHE (0.49)
SCHEMBL21912594 0.68 AURKA (0.34)

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 3141/4885EGLN2 3279/4885MAP3K5 2946/4885

“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.