SCHEMBL5645000

SCHEMBL5645000

C=CCOc1c(N)cc(C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.34
BLM P54132 1/20 0.34
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL6578128 0.88 LMNA (0.47) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL5086988 0.83 MAPT (0.47) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL29605909 0.78 SMN1; SMN2 (0.40) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL5086388 0.78 SMN1; SMN2 (0.40) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL5085915 0.78 KMT2A (0.44) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL5090580 0.74 GAA (0.40) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5647436 0.74 GPR35 (0.40) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL29208906 0.73 SMN1; SMN2 (0.35) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL5089917 0.73 MEN1 (0.43) LMNASMN1; SMN2KDM4EPKMMEN1
SCHEMBL13964533 0.72 LMNA (0.43) LMNASMN1; SMN2KDM4EPKMMEN1

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-7163939-B2 Macrocyclic kinase inhibitors ABBOTT LABORATORIES (US) 2007-01-16 US disclosed
EP-1682555-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-07-26 EP disclosed
US-20050215556-A1 Macrocyclic kinase inhibitors ABBVIE INC. 2005-09-29 US disclosed
WO-2005047294-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-05-26 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 (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-20050215556-A1 Macrocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K7 LMNA 2482/4885SMN1; SMN2 3514/4885KDM4E 1650/4885

“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.