SCHEMBL559027

SCHEMBL559027

O=C(c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.50
JUN P05412 2/20 0.50
MERTK Q12866 9/20 0.48
AXL P30530 5/20 0.48
TYRO3 Q06418 4/20 0.48
MAPK8 P45983 6/20 0.44
MAPK9 P45984 4/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2258647 1.00 MAPK10 (0.50) MAPK10JUNMERTKAXLTYRO3
SCHEMBL2257078 0.87 MAPK10 (0.51) MAPK10JUNMERTKMAPK8MAPK9
SCHEMBL559189 0.87 MAPK10 (0.51) MAPK10JUNMERTKMAPK8MAPK9
SCHEMBL10166034 0.87 MAPK10 (0.51) MAPK10JUNMERTKMAPK8MAPK9
SCHEMBL560142 0.82 TYRO3 (0.54) MAPK10JUNMERTKAXLTYRO3
SCHEMBL2256985 0.82 TYRO3 (0.54) MAPK10JUNMERTKAXLTYRO3
SCHEMBL558897 0.82 MERTK (0.60) MAPK10JUNMERTKAXLTYRO3
SCHEMBL2255116 0.82 MERTK (0.60) MAPK10JUNMERTKAXLTYRO3
SCHEMBL559306 0.80 JUN (0.45) MAPK10JUNMERTKAXLTYRO3
SCHEMBL2256583 0.80 RAB9A (0.55) MERTKAXLTYRO3HTTSMN1; SMN2

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 MAPK10 32/4885JUN 36/4885MERTK 2882/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885MERTK 2882/4885

“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.