SCHEMBL3798379

SCHEMBL3798379

CNCc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.38
LIPG Q9Y5X9 9/20 0.38
F11 P03951 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
FFAR1 O14842 1/20 0.35
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ESR2 Q92731 1/20 0.35
DGAT1 O75907 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL4158398 0.91 PRMT6 (0.40) LPLLIPGF11GSK3AGSK3B
SCHEMBL553104 0.85 LPL (0.43) LPLLIPGF11GSK3AGSK3B
SCHEMBL552697 0.84 KCNH2 (0.38) LPLLIPGF11GSK3AGSK3B
SCHEMBL3802884 0.83 NOS3 (0.42) LPLLIPGF11EPHX2PRMT6
SCHEMBL2428673 0.82 LIPG (0.45) LPLLIPGF11GSK3AGSK3B
SCHEMBL31327281 0.81 CYP11B2 (0.42) LPLLIPGF11GSK3AGSK3B
SCHEMBL552720 0.81 FFAR1 (0.37) LPLLIPGF11GSK3AGSK3B
SCHEMBL22364159 0.81 GSK3A (0.41) LPLLIPGF11GSK3AGSK3B
SCHEMBL28982337 0.81 CYP11B2 (0.42) LPLLIPGF11GSK3AGSK3B
SCHEMBL552526 0.81 AAK1 (0.35) LPLLIPGF11GSK3AGSK3B

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
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 LPL 2217/4885LIPG 2295/4885F11 2017/4885

“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.