SCHEMBL3476412

SCHEMBL3476412

COc1ccccc1-c1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
AGER Q15109 1/20 0.38
CDK9 P50750 4/20 0.37
GSK3B P49841 2/20 0.37
AURKA O14965 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL14612805 0.87 APP (0.39) APPCYP1A2CYP2C19AGERCDK9
SCHEMBL3470882 0.84 KCNH2 (0.46) KCNH2USP2CDK9AURKAFGFR1
SCHEMBL3477653 0.83 KCNH2 (0.43) KCNH2GSK3BMAP4K4FLT1KDR
SCHEMBL3477550 0.82 APP (0.42) APPKCNH2GSK3BCDK5CLK4
SCHEMBL3477263 0.80 MKNK1 (0.45) KCNH2CYP1A2CDK9CLK4DYRK1B
SCHEMBL3471600 0.79 CDK4 (0.43) KCNH2CYP1A2CYP2C19CDK9GSK3B
SCHEMBL3478098 0.79 LMNA (0.41) KCNH2AURKAABL1KDRMAPK8
SCHEMBL4491192 0.79 IKBKB (0.41) KCNH2MAPK8MAPK9CDK2MAPK14
SCHEMBL4487841 0.79 KCNH2 (0.40) KCNH2GSK3BAURKAMAP4K4FLT1
SCHEMBL3477790 0.78 ROCK2 (0.45) KCNH2CYP2C19GSK3BMAP4K4ABL1

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
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

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 APP 2503/4885KCNH2 3073/4885CYP1A2 1037/4885

“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.