SCHEMBL13638445

SCHEMBL13638445

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.48
CCNK O75909 9/20 0.48
CCNE1 P24864 9/20 0.48
CDK12 Q9NYV4 9/20 0.48
CCNT1 O60563 8/20 0.48
CDK9 P50750 8/20 0.48
CDK7 P50613 8/20 0.43
CCNH P51946 8/20 0.43
MNAT1 P51948 7/20 0.43
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MAPK10 P53779 1/20 0.42
JUN P05412 1/20 0.39
RET P07949 3/20 0.38
TYK2 P29597 2/20 0.37
JAK1 P23458 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
CCNB2 O95067 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
SCHEMBL3472658 0.89 CDK2 (0.49) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638686 0.86 IKBKB (0.47) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638683 0.85 MAPK8 (0.48) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638484 0.85 MAPK8 (0.46) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638684 0.85 GSK3B (0.48) CDK2CCNKCCNE1CDK12CDK7
SCHEMBL13638487 0.83 GSK3B (0.52) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638594 0.83 MAPK8 (0.61) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638595 0.83 CCNK (0.49) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638483 0.81 CDK2 (0.43) CDK2CCNKCCNE1CDK12CCNT1
SCHEMBL13638448 0.79 MAPK8 (0.41) CDK2CCNKCCNE1CDK12CCNT1

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 CDK2 77/4885CCNK 1085/4885CCNE1 1410/4885

“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.