SCHEMBL577771

SCHEMBL577771

[c]1nc2ccc(CCc3ccccc3)cc2nc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
PDE5A O76074 1/20 0.38
GBA1 P04062 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 5/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP1A2 P05177 4/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
HIF1A Q16665 4/20 0.37
HBB P68871 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL577984 0.84 RPS6KB2 (0.40) RPS6KB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL577962 0.81 CYP3A4 (0.45) RPS6KB2ALDH1A1LMNAMAPTUSP2
SCHEMBL577988 0.80 RPS6KB2 (0.42) RPS6KB2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL577780 0.79 GRM1 (0.43) RPS6KB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL577508 0.79 KDM4E (0.49) RPS6KB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL577898 0.78 ADORA2A (0.40) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL577563 0.77 HPGDS (0.55) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL577963 0.77 RPS6KB2 (0.42) RPS6KB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL577301 0.77 KMT2A (0.45) RPS6KB2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL578083 0.77 NPC1 (0.49) RPS6KB2ALDH1A1MEN1KMT2AKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885ALDH1A1 1913/4885MEN1 3502/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885ALDH1A1 1913/4885MEN1 3502/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885ALDH1A1 1913/4885MEN1 3502/4885

“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.