SCHEMBL4485958

SCHEMBL4485958

CC1(C)CC(Nc2nccc(-c3c[nH]c4cc(C=CC#N)c(F)cc34)n2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 1/20 0.41
RET P07949 6/20 0.39
CDK2 P24941 5/20 0.38
CCNK O75909 5/20 0.38
CDK12 Q9NYV4 5/20 0.38
CCNE1 P24864 4/20 0.38
CDK7 P50613 3/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
PIM1 P11309 3/20 0.37
FLT3 P36888 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
CDC7 O00311 2/20 0.37
JAK2 O60674 2/20 0.37
CCNB2 O95067 2/20 0.37
MAP4K4 O95819 2/20 0.37
INSR P06213 2/20 0.37
CDK1 P06493 2/20 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
SCHEMBL4485953 1.00 MAPK8 (0.41) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL13638550 0.89 MAPK8 (0.38) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL3478545 0.88 MAPK8 (0.42) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL4479867 0.88 MAPK8 (0.42) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL3470806 0.86 MAPK8 (0.44) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL3470802 0.86 MAPK8 (0.44) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL3475736 0.83 MAPK8 (0.46) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL4479021 0.82 RET (0.43) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL4479023 0.82 RET (0.43) MAPK8MAPK9MAPK10RETCDK2
SCHEMBL4490390 0.82 MAPK8 (0.41) MAPK8MAPK9MAPK10RETCDK2

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 4 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
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-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.