SCHEMBL2214288

SCHEMBL2214288

COc1ccc2c(O)cc(-c3nccs3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 2/20 0.46
SRC P12931 2/20 0.45
ZAP70 P43403 2/20 0.45
SYK P43405 2/20 0.45
CYP19A1 P11511 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TACR3 P29371 1/20 0.42
ADORA2A P29274 2/20 0.41
HPGDS O60760 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CRHR1 P34998 2/20 0.41
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL8272307 0.83 SMPD3 (0.47) CYP1A1CYP1A2CYP1B1SRCZAP70
SCHEMBL313100 0.78 CYP19A1 (0.40) CYP1A1CYP1A2CYP1B1CYP19A1KDM4E
SCHEMBL12732312 0.77 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2TACR3RAB9A
SCHEMBL12055102 0.77 CYP1A2 (0.46) CYP1A1CYP1A2CYP1B1SRCZAP70
SCHEMBL1536729 0.77 CYP3A4 (0.51) KDM4EALDH1A1SMN1; SMN2TACR3TLR8
SCHEMBL8273118 0.77 CYP1A1 (0.46) CYP1A1CYP1A2CYP1B1SRCZAP70
SCHEMBL996348 0.77 SMPD3 (0.47) CYP1A1CYP1A2CYP1B1SRCZAP70
SCHEMBL6809626 0.77 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2TACR3HPGDS
SCHEMBL8138975 0.76 KDM4E (0.42) CYP1A1CYP1A2CYP1B1CYP19A1KDM4E
SCHEMBL2214881 0.76 POLB (0.47) CYP19A1KDM4EALDH1A1SMN1; SMN2TACR3

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-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1912995-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007014919-A1 MACROCYLIC 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 (2 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CYP1A1 618/4885CYP1A2 1007/4885CYP1B1 373/4885
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 CYP1A1 50/4885CYP1A2 79/4885CYP1B1 43/4885

“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.