SCHEMBL3472523

SCHEMBL3472523

c1ccc(CN2CCC(Nc3nccc(-c4cc5ccccc5s4)n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.58
BACE1 P56817 8/20 0.54
CXCR4 P61073 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
IKBKB O14920 6/20 0.49
CHUK O15111 4/20 0.47
IKBKG Q9Y6K9 4/20 0.47
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKCZ Q05513 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4484933 0.84 IKBKB (0.49) ACHEIKBKBCHUKIKBKGMEN1
SCHEMBL3477453 0.83 IKBKB (0.48) ACHEIKBKBCHUKIKBKGMEN1
SCHEMBL3472229 0.80 IKBKB (0.54) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3470744 0.78 IKBKB (0.54) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL5432812 0.76 ACHE (0.69) ACHEBACE1CXCR4HRH3
SCHEMBL3472274 0.76 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13633647 0.76 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL16200004 0.76 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13633704 0.76 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4103603 0.75 ACHE (0.62) ACHEBACE1CXCR4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP claimed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US claimed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK ACHE 2491/4885BACE1 2074/4885CXCR4 2641/4885

“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.