SCHEMBL559498

SCHEMBL559498

Cc1cccnc1CC(C)NC(=O)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.49
JUN P05412 2/20 0.49
MAPK8 P45983 5/20 0.40
MAPK9 P45984 5/20 0.40
RIPK2 O43353 1/20 0.38
SYK P43405 1/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TYRO3 Q06418 3/20 0.37
MERTK Q12866 3/20 0.37
AXL P30530 1/20 0.37
ACACB O00763 3/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
MCHR1 Q99705 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 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
SCHEMBL10166766 1.00 MAPK10 (0.49) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL558714 0.85 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL559551 0.85 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL2260353 0.85 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL2257899 0.85 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL10166711 0.84 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL558846 0.84 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL2259367 0.84 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL558585 0.82 MAPK10 (0.55) MAPK10JUNMAPK8MAPK9TYRO3
SCHEMBL2258887 0.82 MAPK10 (0.55) MAPK10JUNMAPK8MAPK9TYRO3

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 MAPK10 32/4885JUN 36/4885MAPK8 20/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885MAPK8 20/4885

“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.