SCHEMBL4478671

SCHEMBL4478671

CC(=O)c1cn(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.44
MKNK1 Q9BUB5 10/20 0.43
MKNK2 Q9HBH9 9/20 0.43
MAPK9 P45984 5/20 0.43
CDK2 P24941 2/20 0.43
JUN P05412 1/20 0.43
MAPK10 P53779 4/20 0.42
CYP2C9 P11712 1/20 0.42
CCNE1 P24864 1/20 0.42
KMT2A Q03164 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL4488358 0.92 MAPK8 (0.49) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL13638589 0.88 MAPK8 (0.42) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL4486284 0.82 MKNK1 (0.42) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL3471867 0.81 MAPK8 (0.50) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL13638311 0.80 MAPK8 (0.47) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL27636274 0.78 MAPK8 (0.47) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL3470784 0.78 MAPK8 (0.64) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL14193741 0.75 MAPK8 (0.55) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL5090355 0.75 MAPK8 (0.62) MAPK8MKNK1MKNK2MAPK9CDK2
SCHEMBL3819896 0.74 MAPK8 (0.59) MAPK8MKNK1MKNK2MAPK9CDK2

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
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
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 197/4885MKNK1 394/4885MKNK2 291/4885

“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.