SCHEMBL13638484

SCHEMBL13638484

C=C1CC(Nc2nccc(-c3c[nH]c4cc(F)ccc34)n2)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.46
MAPK9 P45984 4/20 0.46
MAPK10 P53779 2/20 0.46
CDK2 P24941 4/20 0.43
CDK7 P50613 3/20 0.43
CCNK O75909 2/20 0.43
CCNE1 P24864 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
TDO2 P48775 6/20 0.42
RET P07949 6/20 0.41
JUN P05412 2/20 0.41
HTR1A P08908 1/20 0.40
CDC7 O00311 2/20 0.40
JAK2 O60674 2/20 0.40
CCNB2 O95067 2/20 0.40
MAP4K4 O95819 2/20 0.40
INSR P06213 2/20 0.40
CDK1 P06493 2/20 0.40

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
SCHEMBL13638683 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638684 0.89 GSK3B (0.48) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638487 0.88 GSK3B (0.52) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638594 0.87 MAPK8 (0.61) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638595 0.87 CCNK (0.49) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL3476994 0.87 MAPK8 (0.50) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638489 0.85 AR (0.43) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638445 0.85 CDK2 (0.48) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638483 0.85 CDK2 (0.43) MAPK8MAPK9MAPK10CDK2CDK7
SCHEMBL13638485 0.84 RET (0.41) MAPK8MAPK9MAPK10CDK2CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.