SCHEMBL4160230

SCHEMBL4160230

CNCc1cncc(-c2c[c]cnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 5/20 0.43
EPHX2 P34913 1/20 0.43
DYRK1A Q13627 1/20 0.41
NOS1 P29475 4/20 0.40
NOS3 P29474 2/20 0.40
RET P07949 4/20 0.34
NOS2 P35228 1/20 0.33
GSK3B P49841 1/20 0.33
CDK1 P06493 2/20 0.33
KDR P35968 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
ERBB2 P04626 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3724194 0.83 PRMT6 (0.66) PRMT6EPHX2NOS1NOS3
SCHEMBL3663742 0.81 ADRB2 (0.42) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL4165384 0.79 CHRNB2 (0.39) PRMT6DYRK1ARETGSK3BCDK1
SCHEMBL13778372 0.77 NOS3 (0.49) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL3665839 0.76 PRMT6 (0.45) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL8625517 0.76 PRMT6 (0.57) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL5498490 0.73 NOS3 (0.49) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL6291238 0.73
SCHEMBL14079723 0.71 NOS3 (0.47) PRMT6EPHX2DYRK1ANOS1NOS3
SCHEMBL22547285 0.71 PRMT6 (0.51) PRMT6EPHX2DYRK1ANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PRMT6 1956/4885EPHX2 3222/4885DYRK1A 1550/4885

“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.