SCHEMBL558817

SCHEMBL558817

CN(C)CCOc1ccc(-c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.64
JUN P05412 2/20 0.64
ADORA1 P30542 4/20 0.45
ADORA2A P29274 3/20 0.45
ADORA2B P29275 1/20 0.45
MAPK8 P45983 5/20 0.41
MAPK9 P45984 4/20 0.41
EGFR P00533 1/20 0.40
MERTK Q12866 2/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
GAS6 Q14393 1/20 0.39
RIPK2 O43353 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
AXL P30530 1/20 0.38
PTPN1 P18031 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL558818 1.00 MAPK10 (0.64) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL3492933 0.90 MAPK10 (0.59) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559196 0.88 MAPK10 (0.66) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559197 0.88 MAPK10 (0.66) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559222 0.87 MAPK10 (0.65) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559223 0.87 MAPK10 (0.65) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL2256748 0.87 MAPK10 (0.55) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL557479 0.87 MAPK10 (0.55) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL558732 0.86 MAPK10 (0.55) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL558733 0.85 MAPK10 (0.55) MAPK10JUNADORA1ADORA2AADORA2B

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 MAPK10 32/4885JUN 36/4885ADORA1 972/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885ADORA1 972/4885

“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.