SCHEMBL558794

SCHEMBL558794

CN1CCCC(COc2ccc3cnc(NC4CCC(O)CC4)nc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.47
CCNA2 P20248 6/20 0.47
CDK7 P50613 6/20 0.47
CCNH P51946 6/20 0.47
MNAT1 P51948 6/20 0.47
CCNK O75909 5/20 0.47
CDK12 Q9NYV4 5/20 0.47
MAPK8 P45983 3/20 0.45
METTL3 Q86U44 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
CCNE1 P24864 4/20 0.41
ZAP70 P43403 1/20 0.39
SRC P12931 1/20 0.39
RIPK2 O43353 1/20 0.39
MAPK6 Q16659 1/20 0.39

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
SCHEMBL558793 1.00 CDK2 (0.47) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL10166344 1.00 CDK2 (0.47) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL560212 0.89 MAPK8 (0.44) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL560213 0.89 MAPK8 (0.44) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559942 0.86 CHRNB2 (0.48)
SCHEMBL559943 0.86 CHRNB2 (0.48)
SCHEMBL558702 0.81 MAPK8 (0.44) CDK2MAPK8METTL3MAPK10MAPK9
SCHEMBL558703 0.81 MAPK8 (0.44) CDK2MAPK8METTL3MAPK10MAPK9
SCHEMBL558863 0.80 MAPK8 (0.46) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL558865 0.80 MAPK8 (0.46) CDK2CCNA2CDK7CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNA2 629/4885CDK7 660/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNA2 629/4885CDK7 660/4885

“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.