SCHEMBL9918554

SCHEMBL9918554

CN1C(=O)COc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PTGER3 P43115 1/20 0.37
GRM4 Q14833 1/20 0.37
PRKCA P17252 3/20 0.34
PRKCQ Q04759 3/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MAP3K11 Q16584 1/20 0.34
CYP11B2 P19099 2/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
ALOX5 P09917 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
JAK3 P52333 3/20 0.33
CYP11B1 P15538 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9921770 0.81 SMN1; SMN2 (0.42) PDE3BPDE3A
SCHEMBL9918548 0.80 JAK2 (0.36) PRKCAPRKCQMAP3K11HTR1AJAK2
SCHEMBL9921780 0.80 ALDH1A1 (0.47) HTR1AJAK2JAK1JAK3SLC6A4
SCHEMBL9918547 0.75 JAK2 (0.32) MAP3K11JAK2JAK1JAK3
SCHEMBL9921771 0.73 KDM4E (0.39) PDE3BPDE3APRKCAPRKCQMAP3K11
SCHEMBL9918551 0.72 MAP3K11 (0.35) PRKCAPRKCQMAP3K11JAK2JAK1
SCHEMBL9918550 0.71 PRKCA (0.30) PRKCAPRKCQMAP3K11
SCHEMBL9921664 0.70 MAP3K11 (0.41) MAP3K11JAK2JAK1JAK3
SCHEMBL9918533 0.70 MAP3K11 (0.41) MAP3K11JAK2JAK1JAK3
SCHEMBL9918552 0.69 HTT (0.39) JAK2JAK1JAK3

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PDE3B 1021/4885PDE3A 1414/4885PTGER3 1415/4885

“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.