SCHEMBL558644

SCHEMBL558644

O=C(NCc1ccccc1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.59
PLAU P00749 1/20 0.53
CSNK2A1 P68400 3/20 0.52
TYRO3 Q06418 3/20 0.49
MERTK Q12866 3/20 0.49
FLT3 P36888 2/20 0.49
GAS6 Q14393 2/20 0.49
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
LMNA P02545 2/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
TP53 P04637 1/20 0.45
MAPK9 P45984 1/20 0.45
KDM1A O60341 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
MAOA P21397 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
SCHEMBL2255573 1.00 MAPK8 (0.59) MAPK8PLAUCSNK2A1TYRO3MERTK
SCHEMBL3491337 0.91 PLAU (0.52) MAPK8PLAUCSNK2A1ADORA2AADORA2B
SCHEMBL3491333 0.91 PLAU (0.52) MAPK8PLAUCSNK2A1ADORA2AADORA2B
SCHEMBL559871 0.91 PLAU (0.54) MAPK8PLAUCSNK2A1ADORA2AADORA2B
SCHEMBL559870 0.91 PLAU (0.54) MAPK8PLAUCSNK2A1ADORA2AADORA2B
SCHEMBL14391782 0.91 PLAU (0.54) MAPK8PLAUCSNK2A1ADORA2AADORA2B
SCHEMBL2257169 0.90 MAPK8 (0.49) MAPK8CSNK2A1TYRO3MERTKGAS6
SCHEMBL558716 0.90 MAPK8 (0.49) MAPK8CSNK2A1TYRO3MERTKGAS6
SCHEMBL559012 0.90 MERTK (0.54) MAPK8TYRO3MERTKFLT3GAS6
SCHEMBL2259321 0.90 MERTK (0.54) MAPK8TYRO3MERTKFLT3GAS6

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-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
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 MAPK8 20/4885PLAU 4441/4885CSNK2A1 81/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885PLAU 4441/4885CSNK2A1 81/4885

“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.