SCHEMBL5856885

SCHEMBL5856885

CN(C)CCC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3c(c2)OOC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
NAMPT P43490 4/20 0.33
FLT3 P36888 2/20 0.33
MAPK14 Q16539 1/20 0.32
SLC6A4 P31645 1/20 0.32
PDGFRB P09619 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL3931880 0.93 BACE1 (0.33) BACE1NAMPTFLT3MAPK14PDGFRB
SCHEMBL5856934 0.92 EGFR (0.34)
SCHEMBL5859772 0.89 NAMPT (0.31) NAMPT
SCHEMBL5858302 0.89 RXFP1 (0.36) GAA
SCHEMBL5858204 0.88 POLB (0.33) NAMPT
SCHEMBL3935527 0.88 AAK1 (0.40) BACE1NAMPTFLT3MAPK14PDGFRB
SCHEMBL3931888 0.87 MAOB (0.42) GAA
SCHEMBL3932991 0.87 CASP3 (0.42)
SCHEMBL3931883 0.87 MAOB (0.42) GAA
SCHEMBL5856895 0.87 CASP3 (0.42)

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-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 BACE1 1424/4885NAMPT 1870/4885FLT3 71/4885

“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.