SCHEMBL3475858

SCHEMBL3475858

CC1(C)CC(Nc2nccc(-c3cc4ccc(O)cc4s3)n2)CC(C)(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
ESR1 P03372 8/20 0.38
ESR2 Q92731 8/20 0.38
IKBKB O14920 6/20 0.37
CHUK O15111 4/20 0.37
IKBKG Q9Y6K9 4/20 0.37
CDK4 P11802 3/20 0.34
CDK2 P24941 3/20 0.34
PLK1 P53350 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCZ Q05513 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL3470408 0.87 KCNH2 (0.66) KCNH2IKBKBCHUKIKBKGCDK2
SCHEMBL13638307 0.86 KCNH2 (0.38) KCNH2ESR1ESR2IKBKBCHUK
SCHEMBL3477093 0.86 KCNH2 (0.48) KCNH2
SCHEMBL3473663 0.84 KCNH2 (0.47) KCNH2IKBKBCHUKIKBKGMEN1
SCHEMBL4474408 0.83 KCNH2 (0.50) KCNH2IKBKBCHUKIKBKGCDK4
SCHEMBL3471385 0.83 KCNH2 (0.50) KCNH2IKBKBCHUKIKBKGCDK4
SCHEMBL4481480 0.83 IKBKB (0.38) KCNH2ESR1ESR2IKBKBCDK4
SCHEMBL3478097 0.81 KCNH2 (0.44) KCNH2IKBKBCHUKIKBKGMEN1
SCHEMBL4478627 0.80 KCNH2 (0.44) KCNH2IKBKBCHUKIKBKGMEN1
SCHEMBL4489709 0.80 IKBKB (0.48) KCNH2IKBKBMEN1KMT2A

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-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 KCNH2 3073/4885ESR1 4163/4885ESR2 3596/4885

“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.