SCHEMBL2215084

SCHEMBL2215084

COc1ccc2c(O)nc(-c3cccnc3)nc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
CYP11B1 P15538 5/20 0.48
CYP11B2 P19099 5/20 0.48
CYP19A1 P11511 3/20 0.48
CYP17A1 P05093 2/20 0.48
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLK3 P07288 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
S1PR1 P21453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2836126 0.85 TDO2 (0.46) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL2216607 0.84 NPC1 (0.40) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL2242688 0.80 IDO1 (0.42) NPC1MAPTNPSR1MEN1KMT2A
SCHEMBL2213636 0.79 PDGFRB (0.44) MAPTALDH1A1KDM4EABCG2CYP1A2
SCHEMBL14359116 0.78 NPC1 (0.47) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL2216620 0.78 TDO2 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28031940 0.78 KDM4E (0.55) NPC1CYP11B1MAPTNPSR1ALDH1A1
SCHEMBL2212610 0.77 TDO2 (0.36) NPC1MAPTRAB9AABCB1ABCG2
SCHEMBL16183770 0.76 S1PR1 (0.45) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL2843197 0.74 CCR1 (0.39) NPC1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
EP-1912996-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2012-06-20 EP disclosed
EP-1912996-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2012-06-20 EP disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
EP-1912995-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912996-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-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014920-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014920-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 (1 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-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 NPC1 383/4885CYP11B1 94/4885CYP11B2 116/4885

“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.