SCHEMBL3582272

SCHEMBL3582272

CCN(CC)CCOc1ccc(NC=C2C(=O)Nc3cc(C(=O)c4cccc(N)c4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
KDR P35968 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 1/20 0.39
ALK Q9UM73 4/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CHRNA7 P36544 1/20 0.37
ESR1 P03372 2/20 0.36
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL3573602 0.96 FLT3 (0.41) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3582267 0.93 FLT3 (0.45) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL4706315 0.89 KDR (0.41) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3573599 0.89 IKBKB (0.43) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3577551 0.88 ABCB1 (0.37) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3585200 0.85 KDR (0.41) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3572031 0.83 LTA4H (0.47) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3582377 0.83 LTA4H (0.46) KDRHRH3MCHR1ESR1
SCHEMBL4706311 0.82 CHEK2 (0.42) FLT3PSEN1PSEN2APH1BNCSTN
SCHEMBL3571538 0.82 KDM4E (0.47) HRH3BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 FLT3 380/4885PSEN1 3502/4885PSEN2 2658/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 FLT3 87/4885PSEN1 3972/4885PSEN2 3472/4885

“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.