SCHEMBL1128864

SCHEMBL1128864

Clc1nc2ccccc2nc1-c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 5/20 0.58
ADORA2A P29274 5/20 0.54
ADORA1 P30542 4/20 0.54
KDM4E B2RXH2 6/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
HSD17B10 Q99714 4/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
MAPK10 P53779 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.42

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
SCHEMBL7696744 0.88 RPS6KB2 (0.77) RPS6KB2ADORA2AADORA1KDM4EPKM
SCHEMBL31393470 0.86 RPS6KB2 (0.74) RPS6KB2ADORA2AADORA1KDM4ENPC1
SCHEMBL16027135 0.86 RPS6KB2 (0.74) RPS6KB2ADORA2AADORA1KDM4ENPC1
SCHEMBL19066635 0.84 RPS6KB2 (0.71) RPS6KB2ADORA2AADORA1KDM4ENPC1
Bromide SCHEMBL19066634 0.82 RPS6KB2 (0.69) RPS6KB2ADORA2AADORA1KDM4ENPC1
SCHEMBL31265460 0.81 RPS6KB2 (0.61) RPS6KB2ADORA2AADORA1KDM4ENPC1
SCHEMBL578071 0.81 RPS6KB2 (0.61) RPS6KB2ADORA2AADORA1KDM4ENPC1
SCHEMBL6237367 0.78 CYP1A2 (0.51) RPS6KB2ADORA2AADORA1NPC1RAB9A
SCHEMBL6235717 0.78 RPS6KB2 (0.66) RPS6KB2ADORA2AADORA1KDM4EPKM
SCHEMBL16519335 0.78 RPS6KB2 (0.58) RPS6KB2ADORA2AKDM4ENPC1RAB9A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805726-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2018-05-02 EP disclosed
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 US disclosed
EP-2805726-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2014-11-26 EP disclosed
EP-2468285-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2014-10-15 EP disclosed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 US disclosed
EP-2468286-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-04-23 EP disclosed
EP-2468287-B1 Macrocyclic hepatitis c serine protease inhibitors ENANTA PHARM INC (US) 2014-04-23 EP disclosed
EP-2340029-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-03-05 EP disclosed
US-8642538-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-02-04 US disclosed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
CN-101775017-A macrocyclic hepatitis c serine protease inhibitors ABBOTT LAB 2010-07-14 CN disclosed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 US disclosed
WO-2010030359-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARJMACEUTICALS, INC. (US) 2010-03-18 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
WO-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 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-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 RPS6KB2 4418/4885ADORA2A 3736/4885ADORA1 3907/4885
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 RPS6KB2 893/4885ADORA2A 4281/4885ADORA1 4147/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 RPS6KB2 4418/4885ADORA2A 3736/4885ADORA1 3907/4885

“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.