SCHEMBL4482446

SCHEMBL4482446

CC(O)/C=C/c1ccc(-c2ccnc(S(C)(=O)=O)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
DKK1 O94907 2/20 0.31
GSK3B P49841 2/20 0.31
IKBKB O14920 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4482454 1.00 DYRK1A (0.35) DYRK1ADYRK2DYRK1BDKK1GSK3B
SCHEMBL4483641 0.78 LMNA (0.41) DYRK1ADYRK2DYRK1B
SCHEMBL4483645 0.78 LMNA (0.41) DYRK1ADYRK2DYRK1B
SCHEMBL7421078 0.72 GABRA1 (0.39) DYRK1ADYRK2DYRK1BDKK1GSK3B
SCHEMBL2198259 0.72 KDM4E (0.38) DYRK1ADYRK2DYRK1BDKK1GSK3B
SCHEMBL3478289 0.68 KCNH2 (0.35) GSK3BIKBKB
SCHEMBL3478285 0.68 KCNH2 (0.35) GSK3BIKBKB
SCHEMBL2198268 0.68 MAPT (0.51) DYRK1ADYRK2DYRK1BDKK1GSK3B
SCHEMBL12917990 0.67 SDHB (0.35) DYRK1ADYRK2DYRK1BDKK1GSK3B
SCHEMBL27688655 0.65 DYRK1A (0.33) DYRK1ADYRK2DYRK1BDKK1GSK3B

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 9 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 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 DYRK1A 1869/4885DYRK2 1300/4885DYRK1B 1714/4885

“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.