SCHEMBL13638490

SCHEMBL13638490

C=C1CC(Nc2nccc(-c3c[nH]c4cc(C(=O)N5CCOCC5)ccc34)n2)CC(C)(C)N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.50
CCNK O75909 11/20 0.45
CDK12 Q9NYV4 11/20 0.45
CDK2 P24941 6/20 0.45
CCNE1 P24864 5/20 0.45
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
JUN P05412 1/20 0.44
CDK7 P50613 4/20 0.42
CCNH P51946 4/20 0.42
MNAT1 P51948 4/20 0.42
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
MAPK10 P53779 1/20 0.40
RET P07949 1/20 0.40
FLT3 P36888 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4479217 0.90 EIF2AK2 (0.54) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638686 0.85 IKBKB (0.47) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638683 0.82 MAPK8 (0.48) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638484 0.80 MAPK8 (0.46) CCNKCDK12CDK2CCNE1MAPK8
SCHEMBL13638684 0.80 GSK3B (0.48) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638487 0.79 GSK3B (0.52) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638594 0.79 MAPK8 (0.61) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638595 0.78 CCNK (0.49) CCNKCDK12CDK2CCNE1MAPK8
SCHEMBL13638445 0.78 CDK2 (0.48) EIF2AK2CCNKCDK12CDK2CCNE1
SCHEMBL13638483 0.76 CDK2 (0.43) EIF2AK2CCNKCDK12CDK2CCNE1

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 EIF2AK2 108/4885CCNK 1085/4885CDK12 1021/4885

“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.