SCHEMBL558702

SCHEMBL558702

O[C@H]1CC[C@H](Nc2ncc3ccc(OCC4CCOCC4)cc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.44
MAPK10 P53779 5/20 0.44
METTL3 Q86U44 2/20 0.42
MAPK1 P28482 5/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK9 P45984 4/20 0.41
MAPK14 Q16539 3/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PRMT5 O14744 1/20 0.41
CCNT1 O60563 2/20 0.40
RIPK2 O43353 1/20 0.40
LRRK2 Q5S007 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL558703 1.00 MAPK8 (0.44) MAPK8MAPK10METTL3MAPK1ADORA2A
SCHEMBL2257811 0.94 MAPK8 (0.43) MAPK8MAPK10METTL3MAPK1ADORA2A
SCHEMBL558736 0.94 MAPK8 (0.43) MAPK8MAPK10METTL3MAPK1ADORA2A
SCHEMBL560212 0.86 MAPK8 (0.44) MAPK8MAPK10METTL3ADORA2AADORA2B
SCHEMBL560213 0.86 MAPK8 (0.44) MAPK8MAPK10METTL3ADORA2AADORA2B
SCHEMBL559562 0.85 IRAK4 (0.46) MAPK8MAPK10MAPK1ADORA2AADORA2B
SCHEMBL559561 0.85 IRAK4 (0.46) MAPK8MAPK10MAPK1ADORA2AADORA2B
SCHEMBL559234 0.82 SYK (0.46) MAPK8MAPK10MAPK1TYRO3MERTK
SCHEMBL559235 0.82 SYK (0.46) MAPK8MAPK10MAPK1TYRO3MERTK
SCHEMBL10166344 0.81 CDK2 (0.47) MAPK8MAPK10METTL3MAPK9CCNE1

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 8 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

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 MAPK8 20/4885MAPK10 32/4885METTL3 537/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAPK10 32/4885METTL3 537/4885

“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.