SCHEMBL5532159

SCHEMBL5532159

Cn1nccc1-c1nc(O)c2sccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 7/20 0.39
LATS2 Q9NRM7 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CA P42336 5/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MTOR P42345 3/20 0.34
COMT P21964 1/20 0.34
PIK3C2B O00750 1/20 0.33
CCNE2 O96020 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL8141643 0.81 CYP1A2 (0.38) LATS1LATS2ALDH1A1MAPTADORA2A
SCHEMBL4784650 0.78 CTSA (0.34) ALDH1A1MAPTADORA2AADORA1PIK3CA
SCHEMBL5532728 0.73 ADORA2A (0.54) ADORA2AADORA1PIK3CAMTORKDM4E
SCHEMBL3688193 0.71 ADORA2A (0.55) ALDH1A1MAPTADORA2AADORA1PIK3CA
SCHEMBL14095091 0.71 PDE4A (0.52) ADORA2AADORA1PIK3CAPIK3CBPIK3CG
SCHEMBL14104414 0.70 RAB9A (0.49) ALDH1A1ADORA2AADORA1PIK3CAPIK3CB
SCHEMBL5532742 0.70 ADORA2A (0.36) MAPTADORA2AADORA1PIK3CAPIK3CB
SCHEMBL3674250 0.69 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL7121620 0.69 PDE4A (0.55) MAPTADORA2AADORA1PIK3CAPIK3CB
SCHEMBL24128147 0.69 PRKCI (0.42) ALDH1A1MAPTKDM4ENPC1LMNA

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-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
EP-1805187-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-07-11 EP disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 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-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV LATS1 4129/4885LATS2 4399/4885ALDH1A1 698/4885

“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.