SCHEMBL6854348

SCHEMBL6854348

CC(Cc1c[nH]c2ccccc12)N(Oc1cnc(Cl)c(Br)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
APAF1 O14727 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGB2 P05107 4/20 0.45
ICAM1 P05362 4/20 0.45
ITGAL P20701 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
AKT1 P31749 5/20 0.42
ROCK2 O75116 1/20 0.41
FYN P06241 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT2 P31751 1/20 0.41
RPS6KA3 P51812 1/20 0.41

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
SCHEMBL6849729 0.86 POLB (0.46) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL6850417 0.83 AKT1 (0.46) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL6857977 0.83 AKT1 (0.64) AKT1ROCK2FYNPIM1PRKACA
SCHEMBL6855958 0.81 KDM4E (0.48) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL6855150 0.78 AKT1 (0.45) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL6854345 0.77 HDAC3 (0.51)
SCHEMBL6849850 0.77 MAPT (0.50) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL14430200 0.76 AKT1 (0.60) AKT1ROCK2FYNPIM1PRKACA
SCHEMBL6853355 0.75 AKT1 (0.61) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14430201 0.74 AKT1 (0.49) AKT1ROCK2FYNPIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885POLB 1491/4885KDM4E 1738/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885POLB 1491/4885KDM4E 1738/4885

“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.