SCHEMBL2257744

SCHEMBL2257744

CC(=O)N1CCC(CNC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.55
TYRO3 Q06418 4/20 0.55
MERTK Q12866 4/20 0.55
GAS6 Q14393 4/20 0.55
CDK2 P24941 8/20 0.49
CCNE1 P24864 5/20 0.49
MCHR1 Q99705 5/20 0.48
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
CDK7 P50613 6/20 0.46
CCNH P51946 6/20 0.46
MNAT1 P51948 6/20 0.46
CCNK O75909 3/20 0.44
CCNA2 P20248 3/20 0.44
CDK12 Q9NYV4 3/20 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
SCHEMBL559499 1.00 FLT3 (0.55) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL558878 0.87 CDK2 (0.54) CDK2CCNE1MCHR1CDK7CCNH
SCHEMBL2255518 0.87 CDK2 (0.54) CDK2CCNE1MCHR1CDK7CCNH
SCHEMBL558223 0.84 CDK7 (0.53) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL558222 0.84 CDK7 (0.53) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL2255229 0.80 FLT3 (0.60) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL2257569 0.80 MAPK1 (0.46) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL559200 0.80 FLT3 (0.60) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL558837 0.80 MAPK1 (0.46) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL2258872 0.80 CCNE1 (0.47) TYRO3MERTKGAS6CDK2CCNE1

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.