SCHEMBL15746243

SCHEMBL15746243

CC(C)c1cnc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
CDK7 P50613 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKAA1 Q13131 1/20 0.31
AURKB Q96GD4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL12724849 0.78 ABL1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1KCNH2ABL1
SCHEMBL19347320 0.78 ABL1 (0.36) ALDH1A1SMN1; SMN2HRH4HRH3KCNH2
SCHEMBL21730457 0.78 KDM4E (0.41) ALDH1A1HRH4HRH3KCNH2HDAC6
SCHEMBL24278167 0.77 HRH4 (0.39) ALDH1A1SMN1; SMN2HRH4HRH3KCNH2
SCHEMBL21450719 0.77 HTT (0.39) ALDH1A1SMN1; SMN2L3MBTL1HRH4KCNH2
SCHEMBL988470 0.77 L3MBTL1 (0.37) ALDH1A1SMN1; SMN2L3MBTL1KCNH2ABL1
SCHEMBL14336652 0.74 POLB (0.40) ALDH1A1SMN1; SMN2L3MBTL1KCNH2
SCHEMBL13122856 0.74 HTT (0.44) ALDH1A1SMN1; SMN2L3MBTL1PDE2APDE1A
SCHEMBL15471954 0.73 HRH4 (0.34) SMN1; SMN2L3MBTL1HRH4HRH3KCNH2
SCHEMBL13122876 0.72 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 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 (5 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-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF HAVCR2, SLC10A1, SORD ALDH1A1 576/4885SMN1; SMN2 2736/4885L3MBTL1 4662/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD ALDH1A1 588/4885SMN1; SMN2 2757/4885L3MBTL1 4738/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 ALDH1A1 2513/4885SMN1; SMN2 4816/4885L3MBTL1 3259/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 ALDH1A1 279/4885SMN1; SMN2 2162/4885L3MBTL1 4645/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 ALDH1A1 464/4885SMN1; SMN2 4033/4885L3MBTL1 4755/4885

“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.