SCHEMBL559378

SCHEMBL559378

CNC(=O)N1CCC(NC(=O)c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 0.48
MAPK10 P53779 2/20 0.48
FLT3 P36888 13/20 0.46
TYRO3 Q06418 13/20 0.46
MERTK Q12866 13/20 0.46
GAS6 Q14393 11/20 0.46
AXL P30530 5/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 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
SCHEMBL2256391 1.00 JUN (0.48) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL558814 0.91 JAK2 (0.52) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL2261780 0.91 JAK2 (0.52) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL2256528 0.88 MAPK10 (0.56) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL2256524 0.88 MAPK10 (0.56) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL2261007 0.85 MAPK10 (0.53) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL558808 0.85 MAPK10 (0.53) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL2256966 0.85 MAPK10 (0.58) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL558909 0.85 MAPK10 (0.58) JUNMAPK10FLT3TYRO3MERTK
SCHEMBL558829 0.85 JUN (0.46) JUNMAPK10FLT3TYRO3MERTK

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 JUN 36/4885MAPK10 32/4885FLT3 1589/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 JUN 36/4885MAPK10 32/4885FLT3 1589/4885

“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.