SCHEMBL997481

SCHEMBL997481

COc1ccc2c(O)cc(-c3cccc(C(C)C)n3)nc2c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 1/20 0.32
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
KDR P35968 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
SCHEMBL996497 0.85 CCR1 (0.42) GAAMGAMSIMGAM2TDO2
SCHEMBL2624139 0.82 GPR35 (0.36) GAAMGAMSIMGAM2MEN1
SCHEMBL13226974 0.79 RAC1 (0.32) GAAMGAMSIMGAM2MEN1
SCHEMBL313693 0.79 CTSS (0.38) GAAMEN1KMT2ANPC1RECQL
SCHEMBL3627208 0.77 TDO2 (0.51) TDO2MEN1KMT2APDE10AALDH1A1
SCHEMBL1954445 0.77 EGFR (0.33) ADORA2AKMT2AKDRNPSR1
SCHEMBL3625399 0.75 ALDH1A1 (0.35) GAAMEN1KMT2ANPC1RECQL
SCHEMBL1951760 0.75 CYP19A1 (0.37) ADORA2AMEN1KMT2APDE10ANPC1
SCHEMBL3663254 0.74 KDM4E (0.37) GAATDO2MEN1KMT2APDE10A
SCHEMBL3624833 0.74 ENPP3 (0.43) GAATDO2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 EP disclosed
EP-1912999-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-05 EP disclosed
EP-1912999-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-05 EP disclosed
WO-2010033466-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2010-03-25 WO disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ADORA2A 2669/4885GAA 4099/4885MGAM 4816/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS ADORA2A 2669/4885GAA 4099/4885MGAM 4816/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ADORA2A 2669/4885GAA 4099/4885MGAM 4816/4885

“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.