SCHEMBL3802829

SCHEMBL3802829

O=C(Nc1ccnc(-c2cc(-c3c(F)cccc3C(F)(F)F)no2)c1)C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
GRM4 Q14833 1/20 0.36
RORC P51449 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
LCLAT1 Q6UWP7 1/20 0.35
CYP2C8 P10632 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL3793464 0.87 MAPT (0.47) PDK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3793470 0.87 PDK1 (0.39) PDK1MAPTKMT2AMEN1SCN5A
SCHEMBL5152880 0.87 MAPT (0.51) PDK1MAPTKMT2AMEN1RORC
SCHEMBL5344512 0.84 MET (0.40) MAPTKMT2AMEN1GRM4ALDH1A1
SCHEMBL3802834 0.84 SCN9A (0.40) PDK1MAPTKMT2AMEN1SCN5A
SCHEMBL3802836 0.82 MAPT (0.40) PDK1MAPTKMT2AMEN1SCN5A
SCHEMBL3800865 0.82 MAPT (0.54) PDK1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3792949 0.81 MAPT (0.53) PDK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3803929 0.81 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3803951 0.79 MAPT (0.47) PDK1MAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714137-B2 2,2-Dichloro-N-[2-[3-(2-chloro-6-fluorophenyl)-5-isoxazolyl]-(4-pyridyl)]Acetamide; Hepatitis C virus RIGEL PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-7332602-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2008-02-19 US disclosed
US-7332602-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2008-02-19 US disclosed
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-20040127497-A1 Pyridyl substituted heterocycles useful for treating or preventing HCV infection MIDCAP FINANCIAL TRUST 2004-07-01 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 (3 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-20040127497-A1 Pyridyl substituted heterocycles useful for treating or preventing HCV infection HAVCR2, HCCS, NQO1 PDK1 1068/4885MAPT 4676/4885KMT2A 3703/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 PDK1 1018/4885MAPT 4671/4885KMT2A 3719/4885
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 PDK1 1068/4885MAPT 4676/4885KMT2A 3703/4885

“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.