SCHEMBL12540468

SCHEMBL12540468

O=c1[nH]c2ncccc2n1-c1cnn2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
PRKCQ Q04759 13/20 0.42
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
PRKCA P17252 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 1/20 0.37
FEN1 P39748 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL12539935 0.85 GRM4 (0.38) DAOCCNKCDK12ALDH1A1KDM4E
SCHEMBL30615518 0.75 DAO (0.53) DAOPRKCQPRKCAALDH1A1FEN1
SCHEMBL21467334 0.75 DAO (0.53) DAOPRKCQPRKCAALDH1A1FEN1
SCHEMBL11511885 0.74 DAO (0.58) DAOPRKCQPRKCAALDH1A1HSD17B10
SCHEMBL12539936 0.73 TNKS2 (0.34) CCNKCDK12ALDH1A1KDM4E
SCHEMBL13933686 0.73 DAO (0.57) DAOPRKCQPRKCAALDH1A1FEN1
SCHEMBL30615330 0.72 DAO (0.49) DAOPRKCQPRKCAALDH1A1KDM4E
SCHEMBL21463501 0.72 DAO (0.49) DAOPRKCQPRKCAALDH1A1KDM4E
SCHEMBL30257859 0.72 DAO (0.55) DAOPRKCQPRKCAALDH1A1FEN1
SCHEMBL30794441 0.70 DAO (0.53) DAOPRKCQPRKCAALDH1A1FEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 US disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 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 (3 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 DAO 774/4885PRKCQ 570/4885CCNK 465/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 DAO 774/4885PRKCQ 570/4885CCNK 465/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 DAO 774/4885PRKCQ 570/4885CCNK 465/4885

“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.