SCHEMBL3799752

SCHEMBL3799752

Cc1cccc(C)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK3 P52333 2/20 0.40
ACR P10323 3/20 0.37
TP53 P04637 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRA P18433 1/20 0.35
CACNA1B Q00975 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
SCHEMBL3798740 0.88 MAPT (0.58) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL5852224 0.88 MAPT (0.60) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3802368 0.87 MAPT (0.44) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3803424 0.85 MAPT (0.52) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3797616 0.84 MAPT (0.51) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3796833 0.83 MAPT (0.41) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL5154707 0.82 MAPT (0.68) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL5154977 0.82 MAPT (0.58) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3802836 0.81 MAPT (0.40) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL3801913 0.81 MAPT (0.45) MAPTPOLBMAPK1KDM4EALDH1A1

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 MAPT 4676/4885POLB 499/4885MAPK1 1285/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4671/4885POLB 397/4885MAPK1 1504/4885
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4676/4885POLB 499/4885MAPK1 1285/4885

“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.