SCHEMBL998403

SCHEMBL998403

COc1ccc(C#N)c(N)c1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
AR P10275 12/20 0.44
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2680110 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL27405526 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL3000243 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL8039491 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL9522127 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL21615521 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2CYP3A4
SCHEMBL23139787 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29278804 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL6841077 0.75 TSHR (0.43) ALDH1A1KDM4EUSP2AR
SCHEMBL12957782 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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 96 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
EP-3229593-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS Synereca Pharmaceuticals, Inc. (US) 2017-10-18 EP 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO 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
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 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 (4 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 ALDH1A1 2683/4885KDM4E 2630/4885USP2 2528/4885
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 ALDH1A1 2532/4885KDM4E 4409/4885USP2 1076/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885KDM4E 2630/4885USP2 2528/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 ALDH1A1 380/4885KDM4E 4584/4885USP2 898/4885

“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.