SCHEMBL15746231

SCHEMBL15746231

CC(C)(C)c1cnc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN10A Q9Y5Y9 2/20 0.41
KCNH2 Q12809 1/20 0.41
AURKA O14965 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRAF P15056 1/20 0.35
CFB P00751 2/20 0.33
HPGD P15428 2/20 0.33
METAP2 P50579 1/20 0.33
POLB P06746 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KIF11 P52732 2/20 0.32

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
SCHEMBL13154979 0.82 HTT (0.47) HTTHSD17B10AURKASMN1; SMN2ALDH1A1
SCHEMBL23664110 0.82 HTT (0.70) HTTHSD17B10AURKASMN1; SMN2ALDH1A1
SCHEMBL12755407 0.81 NUDT1 (0.43) HTTHSD17B10SCN10AKCNH2AURKA
SCHEMBL12438210 0.78 HTT (0.44) HTTHSD17B10SMN1; SMN2ALDH1A1ADORA3
SCHEMBL13122856 0.78 HTT (0.44) HTTHSD17B10SCN10ASMN1; SMN2ALDH1A1
SCHEMBL10141045 0.78 SCN10A (0.40) HTTHSD17B10SCN10AKCNH2AURKA
SCHEMBL11773659 0.75 HSD17B10 (0.70) HTTHSD17B10KCNH2AURKASMN1; SMN2
SCHEMBL12755417 0.74 SMN1; SMN2 (0.36) HTTHSD17B10SCN10AKCNH2AURKA
SCHEMBL14336558 0.73 METAP2 (0.44) HTTHSD17B10SMN1; SMN2ALDH1A1ADORA3
SCHEMBL12829206 0.72 AURKA (0.34) HTTHSD17B10AURKASMN1; SMN2ALDH1A1

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 11 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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 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 HTT 1289/4885HSD17B10 283/4885SCN10A 525/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD HTT 1394/4885HSD17B10 316/4885SCN10A 553/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 HTT 2719/4885HSD17B10 2000/4885SCN10A 3997/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 HTT 2636/4885HSD17B10 420/4885SCN10A 1737/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 HTT 3161/4885HSD17B10 221/4885SCN10A 1660/4885

“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.