SCHEMBL3796751

SCHEMBL3796751

CN(C)Cc1cncc(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
LIPG Q9Y5X9 9/20 0.35
LPL P06858 8/20 0.35
DGAT1 O75907 1/20 0.34
DYRK1A Q13627 3/20 0.34
F11 P03951 1/20 0.34
PRMT6 Q96LA8 2/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
WNT1 P04628 1/20 0.33
FFAR1 O14842 1/20 0.33
SNCA P37840 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
SCHEMBL551592 0.91 CHRNB2 (0.41) CHRNB2CHRNA4LIPGLPLDGAT1
SCHEMBL3801908 0.89 HRH3 (0.45) CHRNB2CHRNA4LIPGLPLDGAT1
SCHEMBL3801108 0.89 LIPG (0.45) CHRNB2CHRNA4LIPGLPLDGAT1
SCHEMBL3792923 0.82 DGAT1 (0.42) CHRNB2CHRNA4LIPGLPLDGAT1
SCHEMBL4158398 0.81 PRMT6 (0.40) LIPGLPLDGAT1DYRK1AF11
SCHEMBL3803519 0.75 MKNK1 (0.45) LIPGLPLDGAT1F11FFAR1
SCHEMBL3796275 0.75 LIPG (0.62) LIPGLPLDGAT1
SCHEMBL3798360 0.75 LIPG (0.49) LIPGLPLDGAT1F11PRMT6
SCHEMBL12373176 0.75 LPL (0.44) LIPGLPLF11FFAR1
SCHEMBL2428673 0.74 LIPG (0.45) LIPGLPLDGAT1F11FFAR1

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 CHRNB2 3774/4885CHRNA4 961/4885LIPG 2295/4885

“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.