SCHEMBL2216607

SCHEMBL2216607

COc1ccc2c(O)nc(-c3ccncc3)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
S1PR1 P21453 4/20 0.39
ERN1 O75460 1/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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 0.87 TDO2 (0.46) MAPTSMN1; SMN2ABCG2ABCB1KDM4E
SCHEMBL2242688 0.87 IDO1 (0.42) NPC1MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL2216620 0.85 TDO2 (0.42) MAPTSMN1; SMN2ABCG2ABCB1KDM4E
SCHEMBL13757368 0.84 MAPT (0.54) NPC1MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL2215084 0.84 NPC1 (0.52) NPC1MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL2212610 0.81 TDO2 (0.36) NPC1MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL2213636 0.78 PDGFRB (0.44) MAPTABCG2KDM4EHPGDPDGFRB
SCHEMBL24746608 0.77 MAPT (0.48) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL30064180 0.77 MAPT (0.48) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL2843197 0.76 CCR1 (0.39) NPC1MAPTSMN1; SMN2RAB9AKDM4E

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 46 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
WO-2007014925-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-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 383/4885MAPT 4823/4885SMN1; SMN2 3501/4885

“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.