SCHEMBL2255229

SCHEMBL2255229

CC(=O)N1CCC(CNC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.60
TYRO3 Q06418 10/20 0.60
MERTK Q12866 10/20 0.60
GAS6 Q14393 10/20 0.60
HTR3A P46098 2/20 0.49
HTR4 Q13639 2/20 0.49
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 2/20 0.48
JUN P05412 2/20 0.47
MAPK10 P53779 2/20 0.47
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CDK2 P24941 2/20 0.47
MAPK8 P45983 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
SCHEMBL559200 1.00 FLT3 (0.60) FLT3TYRO3MERTKGAS6HTR3A
SCHEMBL558814 0.87 JAK2 (0.52) FLT3TYRO3MERTKGAS6JAK2
SCHEMBL2261780 0.87 JAK2 (0.52) FLT3TYRO3MERTKGAS6JAK2
SCHEMBL2257508 0.83 MAPK10 (0.55) FLT3TYRO3MERTKGAS6JUN
SCHEMBL558604 0.83 MAPK10 (0.55) FLT3TYRO3MERTKGAS6JUN
SCHEMBL559999 0.82 MERTK (0.51) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2257629 0.82 MERTK (0.51) FLT3TYRO3MERTKGAS6JUN
SCHEMBL558321 0.81 MAPK10 (0.44) FLT3TYRO3MERTKGAS6JUN
SCHEMBL558320 0.81 MAPK10 (0.44) FLT3TYRO3MERTKGAS6JUN
SCHEMBL10166796 0.81 MAPK10 (0.44) FLT3TYRO3MERTKGAS6JUN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FLT3 1589/4885TYRO3 691/4885MERTK 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.