SCHEMBL3471459

SCHEMBL3471459

COc1cccc2c1ccn2-c1ccnc(NC2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.49
MAPK9 P45984 15/20 0.49
MAPK10 P53779 13/20 0.49
CIT O14578 1/20 0.45
DAPK3 O43293 1/20 0.45
STK16 O75716 1/20 0.45
PDGFRB P09619 1/20 0.45
EIF2AK2 P19525 1/20 0.45
CDK11B P21127 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK4 P31152 1/20 0.45
TTK P33981 1/20 0.45
MAP2K4 P45985 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
MAP2K6 P52564 1/20 0.45
DAPK1 P53355 1/20 0.45
LIMK1 P53667 1/20 0.45

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
SCHEMBL13638543 0.87 MAPK8 (0.47) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14193374 0.84 MAPK8 (0.62) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL4484309 0.84 MAPK8 (0.47) MAPK8MAPK9MAPK10
SCHEMBL3470784 0.83 MAPK8 (0.64) MAPK8MAPK9MAPK10MKNK1
SCHEMBL5093822 0.82 MAPK8 (0.71) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL3814633 0.82 MAPK8 (0.71) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL3471867 0.82 MAPK8 (0.50) MAPK8MAPK9MAPK10
SCHEMBL3471382 0.80 ROCK1 (0.54) MAPK8MAPK9MAPK10PDGFRBEIF2AK2
SCHEMBL27636274 0.79 MAPK8 (0.47) MAPK8MAPK9MAPK10
SCHEMBL6039567 0.79 MAPK8 (0.59) MAPK8MAPK9MAPK10CITDAPK3

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 10 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
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 MAPK8 197/4885MAPK9 148/4885MAPK10 433/4885

“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.