SCHEMBL3470744

SCHEMBL3470744

CCOC(=O)N1CCC(Nc2nccc(-c3cc4ccccc4s3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.54
CHUK O15111 7/20 0.54
IKBKG Q9Y6K9 7/20 0.54
NOS2 P35228 5/20 0.54
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
PRKCZ Q05513 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DGAT1 O75907 1/20 0.53
NOS1 P29475 4/20 0.52
NOS3 P29474 2/20 0.52
CDK1 P06493 3/20 0.50
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
CDK2 P24941 3/20 0.50
MAPK14 Q16539 1/20 0.48

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
SCHEMBL3472523 0.78 ACHE (0.58) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13218580 0.78 NOS2 (0.64) NOS2MEN1KMT2ADGAT1NOS1
SCHEMBL4484933 0.77 IKBKB (0.49) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3776029 0.76 NOS2 (0.74) NOS2MEN1KMT2ANOS1NOS3
SCHEMBL3472229 0.76 IKBKB (0.54) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3477453 0.76 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3773086 0.75 NOS2 (0.63) NOS2DGAT1NOS1NOS3CDK1
SCHEMBL14591581 0.75 MAPK8 (0.53) NOS2KMT2ADGAT1NOS1NOS3
SCHEMBL4381755 0.75 DGAT1 (0.63) IKBKBNOS2MEN1KMT2ADGAT1
SCHEMBL3568768 0.74 RAB9A (0.64) NOS2MEN1KMT2A

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 12 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-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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK IKBKB 2/4885CHUK 3/4885IKBKG 7/4885

“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.