SCHEMBL4478627

SCHEMBL4478627

CC1(C)CC(Nc2nccc(-c3cc4ccc(OCC5CO5)cc4s3)n2)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
TP53 P04637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
CYP3A4 P08684 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KDM4E B2RXH2 3/20 0.32
IKBKB O14920 4/20 0.32
CHUK O15111 3/20 0.32
IKBKG Q9Y6K9 3/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL13638524 0.88 KCNH2 (0.33) KCNH2TP53ALDH1A1TSHRHPGD
SCHEMBL3473663 0.88 KCNH2 (0.47) KCNH2TP53ALDH1A1TSHRMEN1
SCHEMBL3477093 0.86 KCNH2 (0.48) KCNH2EIF2AK2
SCHEMBL3478097 0.85 KCNH2 (0.44) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3475858 0.80 KCNH2 (0.50) KCNH2MEN1KMT2AIKBKBCHUK
SCHEMBL3477075 0.80 KCNH2 (0.40) KCNH2MAPTCA2
SCHEMBL3470408 0.80 KCNH2 (0.66) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4474408 0.77 KCNH2 (0.50) KCNH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3471385 0.77 KCNH2 (0.50) KCNH2ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL13638308 0.75 KCNH2 (0.34) KCNH2SMN1; SMN2EIF2AK2IKBKBLMNA

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP 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 3073/4885TP53 741/4885ALDH1A1 2035/4885

“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.