SCHEMBL10146074

SCHEMBL10146074

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
MAPK14 Q16539 11/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
CNR2 P34972 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13618716 0.89 KDM4E (0.40) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10147819 0.84 KDM4E (0.42) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL12747060 0.83 KDM4E (0.41) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10147799 0.79 KDM4E (0.32) KDM4EGRNSORT1
SCHEMBL10147538 0.79 MAPK14 (0.40) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL351120 0.78 CNR2 (0.51) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10147492 0.76 ALDH1A1 (0.34) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL12824345 0.75 MAPK14 (0.45) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10148052 0.74 KDM4E (0.32) KDM4EGRNSORT1
SCHEMBL10147517 0.74 CNR2 (0.35) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 KDM4E 2351/4885GRN 4188/4885SORT1 4661/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 KDM4E 2351/4885GRN 4188/4885SORT1 4661/4885
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 KDM4E 2157/4885GRN 4810/4885SORT1 2723/4885

“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.