SCHEMBL3579771

SCHEMBL3579771

CCN(CC)CCNC(=O)c1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CHEK1 O14757 4/20 0.45
PRKAA1 Q13131 5/20 0.44
PRKAA2 P54646 4/20 0.44
KDR P35968 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRB P09619 2/20 0.43
FGFR1 P11362 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NTRK1 P04629 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
SCHEMBL4757647 0.92 PRKAA1 (0.40) TDP1CHEK1PRKAA1PRKAA2KDR
SCHEMBL4756943 0.90 PRKAA1 (0.42) TDP1CHEK1PRKAA1PRKAA2KDR
SCHEMBL4757832 0.88 PRKAA1 (0.39) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL4756597 0.87 PRKAA1 (0.38) CHEK1PRKAA1PRKAA2KDRALDH1A1
SCHEMBL3575353 0.86 ACHE (0.40) CHEK1PRKAA1PRKAA2KDRACHE
SCHEMBL3582267 0.86 FLT3 (0.45) CHEK1KDRMEN1KMT2AKCNH2
SCHEMBL3573599 0.85 IKBKB (0.43) KDRMEN1KMT2AFGFR1ACHE
SCHEMBL3572841 0.83 NTRK1 (0.40) NTRK1PDPK1AKT2
SCHEMBL3575063 0.81 PLAU (0.41) NTRK1PDPK1AKT2
SCHEMBL3572820 0.81 AKT2 (0.38) CHEK1PRKAA1PRKAA2NTRK1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
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

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 TDP1 1059/4885CHEK1 161/4885PRKAA1 406/4885

“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.