SCHEMBL558852

SCHEMBL558852

COc1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.56
MAPK8 P45983 3/20 0.51
MAPK10 P53779 3/20 0.51
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CDK7 P50613 4/20 0.51
CCNH P51946 4/20 0.51
MNAT1 P51948 4/20 0.51
CCNK O75909 3/20 0.51
CDK12 Q9NYV4 3/20 0.51
MAPK9 P45984 1/20 0.48
LCK P06239 2/20 0.48
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
RIPK2 O43353 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL558853 1.00 HPGDS (0.56) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL559324 0.87 MAPK8 (0.46) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL559323 0.87 MAPK8 (0.46) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL12361586 0.86 MAPK8 (0.46) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL558726 0.84 MAPK8 (0.44) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL558727 0.84 MAPK8 (0.44) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL558208 0.84 ADORA1 (0.53) MAPK8MAPK10MAPK9LCKRIPK2
SCHEMBL558209 0.84 ADORA1 (0.53) MAPK8MAPK10MAPK9LCKRIPK2
SCHEMBL558642 0.83 MAPK8 (0.45) HPGDSMAPK8MAPK10CCNA2CDK2
SCHEMBL558641 0.83 MAPK8 (0.45) HPGDSMAPK8MAPK10CCNA2CDK2

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 11 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
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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 HPGDS 1716/4885MAPK8 20/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HPGDS 1716/4885MAPK8 20/4885MAPK10 32/4885

“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.