SCHEMBL4158398

SCHEMBL4158398

CNCc1cncc(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.40
EPHX2 P34913 1/20 0.40
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
DYRK1A Q13627 1/20 0.35
LIPG Q9Y5X9 8/20 0.35
LPL P06858 7/20 0.35
F11 P03951 1/20 0.34
RET P07949 1/20 0.34
FFAR1 O14842 1/20 0.33
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
DGAT1 O75907 1/20 0.32
ESR2 Q92731 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
SCHEMBL3798379 0.91 LPL (0.38) PRMT6EPHX2NOS1LIPGLPL
SCHEMBL3802884 0.89 NOS3 (0.42) PRMT6EPHX2NOS3NOS1LIPG
SCHEMBL3796751 0.81 CHRNB2 (0.37) PRMT6DYRK1ALIPGLPLF11
SCHEMBL553104 0.77 LPL (0.43) DYRK1ALIPGLPLF11RET
SCHEMBL552697 0.76 KCNH2 (0.38) DYRK1ALIPGLPLF11FFAR1
SCHEMBL28563382 0.75 LIPG (0.42) LIPGLPLF11FFAR1DGAT1
SCHEMBL3803519 0.75 MKNK1 (0.45) LIPGLPLF11FFAR1DGAT1
SCHEMBL3796275 0.75 LIPG (0.62) LIPGLPLDGAT1
SCHEMBL3798360 0.75 LIPG (0.49) PRMT6EPHX2LIPGLPLF11
SCHEMBL12373176 0.75 LPL (0.44) LIPGLPLF11FFAR1

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PRMT6 1956/4885EPHX2 3222/4885NOS3 2980/4885

“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.