SCHEMBL6141302

SCHEMBL6141302

N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GFER P55789 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KIF11 P52732 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
MAPK14 Q16539 1/20 0.42
TDO2 P48775 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL11390047 0.86 ALDH1A1 (0.81) GAAALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL10529934 0.81 ALDH1A1 (0.73) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL11397234 0.80 MAPT (0.71) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL2119044 0.79 KIF11 (0.68) KIF11TEAD1TEAD4TEAD2DHODH
SCHEMBL25250382 0.77 KDM4E (0.62) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL6141228 0.77 MAPK1 (0.70) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL2276202 0.76 ALDH1A1 (0.61) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL16481206 0.74 KIF11 (0.52) KIF11TDO2RXFP1TAS2R14ABCB1
SCHEMBL5998737 0.74 MAPT (0.62) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL12407368 0.74 KDM4E (0.71) GAAALDH1A1KDM4EMAPTMEN1

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-6930106-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY (US) 2005-08-16 US disclosed
EP-1525186-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-04-27 EP disclosed
US-20040142989-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002944-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY (US) 2004-01-08 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-20040142989-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 GAA 279/4885ALDH1A1 832/4885KDM4E 2739/4885

“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.