SCHEMBL5344512

SCHEMBL5344512

COc1cccc(F)c1-c1cc(-c2cc(NC(=O)C(Cl)Cl)ccn2)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK9 P50750 3/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNT1 O60563 2/20 0.37
PLK1 P53350 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM4 Q14833 1/20 0.37
CTSA P10619 2/20 0.37
MAPK1 P28482 2/20 0.37
KLK7 P49862 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3793470 0.88 PDK1 (0.39) METRPS6KB1MAPTMEN1KMT2A
SCHEMBL5184529 0.87 MAPT (0.53) RPS6KB1MAPTMEN1KMT2AALDH1A1
SCHEMBL3793464 0.87 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3802829 0.84 PDK1 (0.42) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL3796833 0.83 MAPT (0.41) RPS6KB1MAPTMEN1KMT2AALDH1A1
SCHEMBL3803929 0.82 MAPT (0.43) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL3802381 0.82 MAPT (0.45) METCDK9MAPTMEN1KMT2A
SCHEMBL3800865 0.81 MAPT (0.54) MAPTMEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL3792949 0.80 MAPT (0.53) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL5335832 0.79 MAPT (0.46) MAPTMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040127497-A1 Pyridyl substituted heterocycles useful for treating or preventing HCV infection HAVCR2, HCCS, NQO1 MET 1110/4885RPS6KB1 3114/4885CDK9 440/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MET 847/4885RPS6KB1 2815/4885CDK9 430/4885

“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.