SCHEMBL8217792

SCHEMBL8217792

Oc1ccc(-c2nnn[nH]2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.46
ESR1 P03372 5/20 0.42
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 2/20 0.39
RIPK1 Q13546 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PIK3CD O00329 1/20 0.35
GYS1 P13807 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HDAC2 Q92769 1/20 0.35
AR P10275 1/20 0.35
PTGS2 P35354 1/20 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
SCHEMBL703287 0.84 AHR (0.48) ADORA2AADORA1
SCHEMBL4399156 0.79 ALDH1A1 (0.52) ESR2TSHRHSD17B10CA1CA2
SCHEMBL10254355 0.79 ALOX15 (0.39) ESR2ESR1HDAC2
SCHEMBL26230907 0.79 ALDH1A1 (0.46) ESR2HSD17B10CA1CA2
SCHEMBL6788959 0.79 ALDH1A1 (0.45) TSHRHSD17B10PTGS2
SCHEMBL23291740 0.79 KDM4E (0.33)
SCHEMBL6611955 0.79 FGFR1 (0.46) ESR2ESR1HSD17B1HSD17B2AR
SCHEMBL8219912 0.79 SNCA (0.31)
SCHEMBL3647545 0.79 FGFR1 (0.46) ESR2ESR1HSD17B10RIPK1HSD17B1
SCHEMBL2407686 0.78 PIM1 (0.50) HSD17B10PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 ESR2 3529/4885ESR1 2643/4885TSHR 3901/4885
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 ESR2 3941/4885ESR1 2807/4885TSHR 4329/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ESR2 3327/4885ESR1 2344/4885TSHR 4587/4885
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 ESR2 3941/4885ESR1 2807/4885TSHR 4329/4885
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 ESR2 3529/4885ESR1 2643/4885TSHR 3901/4885

“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.