SCHEMBL3726461

SCHEMBL3726461

CN(C)Cc1ccc(-c2cncc(Br)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP3A4 P08684 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CYP2A6 P11509 2/20 0.37
CLK2 P49760 2/20 0.35
CLK3 P49761 2/20 0.35
DYRK1A Q13627 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13778403 0.84 CYP11B1 (0.52) CYP11B1CYP11B2CHRNB2CHRNA4CYP3A4
SCHEMBL4159355 0.81 HRH3 (0.57) SMN1; SMN2CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL3666911 0.78 CYP2A6 (0.42) CYP11B1CYP11B2CHRNB2CHRNA4HRH3
SCHEMBL7845108 0.77 HRH3 (0.50) SMN1; SMN2NPC1NFKB1MAPK1RAB9A
SCHEMBL3723657 0.75 HTR7 (0.44) CYP11B1CYP11B2CHRNB2CHRNA4CYP2A6
SCHEMBL3792923 0.74 DGAT1 (0.42) CYP11B1CYP11B2CHRNB2CHRNA4CYP3A4
SCHEMBL4167777 0.73 CHRNB2 (0.39) SMN1; SMN2NPC1NFKB1MAPK1RAB9A
SCHEMBL3723569 0.73 CHRNB2 (0.47) SMN1; SMN2CHRNB2CHRNA4HRH3MAPT
SCHEMBL743701 0.70 CHRNB2 (0.47) CYP11B1CHRNB2CHRNA4HRH3
SCHEMBL30408607 0.70 CHRNB2 (0.47) CYP11B1CHRNB2CHRNA4HRH3

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 SMN1; SMN2 3064/4885NPC1 3268/4885NFKB1 769/4885

“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.