SCHEMBL2135839

SCHEMBL2135839

CC(F)(F)c1nc2ccccc2nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KHK P50053 1/20 0.36
KMT2A Q03164 3/20 0.35
NQO2 P16083 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL2608419 0.83 MAPT (0.42) GAAMAPTKDM4ECYP1A2ALDH1A1
SCHEMBL2131608 0.83 MAPT (0.53) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL2136446 0.80 KDM4E (0.51) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL19558527 0.79 GAA (0.40) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL19916068 0.76 TDP1 (0.54) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL31193198 0.76 GAA (0.43) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL789407 0.76 GAA (0.40) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL382385 0.72 MAPT (0.62) GAAMAPTKDM4ECYP1A2ALDH1A1
SCHEMBL29450004 0.72 MAPT (0.62) GAAMAPTKDM4ECYP1A2ALDH1A1
SCHEMBL11038905 0.72 MAPT (0.62) GAAMAPTKDM4ECYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2018-03-01 US disclosed
US-9809576-B1 Synthetic route to anti-viral agents ABBVIE INC. (US) 2017-11-07 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
CN-103025736-B Macrocyclic hepatitis C serine protease inhibitors ABBVIE 公司 2016-07-06 CN disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
EP-2576564-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Abbvie Inc. (US) 2013-04-10 EP disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 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 (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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 GAA 475/4885MAPT 3207/4885KDM4E 2948/4885
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP GAA 175/4885MAPT 2781/4885KDM4E 2085/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 GAA 475/4885MAPT 3207/4885KDM4E 2948/4885

“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.