SCHEMBL558704

SCHEMBL558704

CC(C)(O)c1ccc(CNC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 10/20 0.47
MERTK Q12866 10/20 0.47
GAS6 Q14393 8/20 0.47
FLT3 P36888 7/20 0.47
MAPK8 P45983 3/20 0.46
AXL P30530 2/20 0.43
CCNE1 P24864 6/20 0.43
CDK2 P24941 6/20 0.43
MAPK1 P28482 1/20 0.41
MAPK9 P45984 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL2257637 1.00 TYRO3 (0.47) TYRO3MERTKGAS6FLT3MAPK8
SCHEMBL2259321 0.87 MERTK (0.54) TYRO3MERTKGAS6FLT3MAPK8
SCHEMBL559012 0.87 MERTK (0.54) TYRO3MERTKGAS6FLT3MAPK8
SCHEMBL2255573 0.87 MAPK8 (0.59) TYRO3MERTKGAS6FLT3MAPK8
SCHEMBL558644 0.87 MAPK8 (0.59) TYRO3MERTKGAS6FLT3MAPK8
SCHEMBL559565 0.81 ALDH1A1 (0.47) MAPK8CCNE1CDK2MAPK1
SCHEMBL2262217 0.81 ALDH1A1 (0.47) MAPK8CCNE1CDK2MAPK1
SCHEMBL559975 0.80 MAPK1 (0.46) FLT3MAPK8CCNE1CDK2MAPK1
SCHEMBL2258872 0.80 CCNE1 (0.47) TYRO3MERTKGAS6MAPK8AXL
SCHEMBL559845 0.80 CCNE1 (0.47) TYRO3MERTKGAS6MAPK8AXL

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 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885

“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.