SCHEMBL4477041

SCHEMBL4477041

CC(=O)Nc1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
PLK1 P53350 1/20 0.48
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
SYK P43405 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 5/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
JAK3 P52333 1/20 0.40
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
PDGFRA P16234 1/20 0.39
JMJD1C Q15652 1/20 0.39
KDM3B Q7LBC6 1/20 0.39

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
SCHEMBL4492222 0.89 ROCK2 (0.42) PLK1SYKL3MBTL1PDGFRBPDGFRA
SCHEMBL13638304 0.88 NQO2 (0.45) NQO2PLK1NPC1RAB9ASMN1; SMN2
SCHEMBL27842563 0.83 KCNH2 (0.38) BRAFHTT
SCHEMBL4486964 0.83 GSK3B (0.39) SYK
SCHEMBL3478254 0.83 CDK5 (0.40) PLK1NPC1RAB9ASYKJAK2
SCHEMBL3474930 0.83 KCNH2 (0.38) ALDH1A1BRAFKDM4ECHEK1
SCHEMBL3477263 0.81 MKNK1 (0.45) SYKJAK2BRAFTDP1
SCHEMBL16192806 0.81 RARA (0.47)
SCHEMBL3470841 0.81 KCNH2 (0.37) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL4481480 0.81 IKBKB (0.38) PLK1NPC1SMN1; SMN2MAPT

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 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
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN 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

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 NQO2 1228/4885PLK1 1005/4885NPC1 4005/4885

“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.