SCHEMBL559474

SCHEMBL559474

COc1ccc(NC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CDK7 P50613 8/20 0.46
CCNH P51946 8/20 0.46
MNAT1 P51948 8/20 0.46
CDK2 P24941 7/20 0.46
CCNA2 P20248 5/20 0.46
CCNK O75909 4/20 0.46
CDK12 Q9NYV4 4/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
CCNE1 P24864 2/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL2257519 1.00 MEN1 (0.49) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL558650 0.83 MAPK8 (0.46) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL2256843 0.83 MAPK8 (0.46) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL558912 0.81 CDK2 (0.52) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL560325 0.81 CDK7 (0.55) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL558911 0.81 CDK2 (0.52) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL560324 0.81 CDK7 (0.55) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL559328 0.81 HPGDS (0.48) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL2259374 0.81 HPGDS (0.48) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL560199 0.80 CCNE1 (0.52) CDK2CCNE1MAPK1

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 9 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 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
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 MEN1 2633/4885KMT2A 1703/4885KEAP1 280/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MEN1 2633/4885KMT2A 1703/4885KEAP1 280/4885

“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.