SCHEMBL577427

SCHEMBL577427

CNc1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.39
RPS6KB2 Q9UBS0 6/20 0.38
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 2/20 0.37
KLK7 P49862 1/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 1/20 0.34

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
SCHEMBL578083 0.79 NPC1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577571 0.79 RPS6KB2 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577301 0.79 KMT2A (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577397 0.78 KDM1A (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577508 0.78 KDM4E (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577988 0.77 RPS6KB2 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1232473 0.76 SCD (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL578206 0.76 KDM4E (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577984 0.76 RPS6KB2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL577211 0.76 ABCG2 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A

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 ALDH1A1 1913/4885KDM4E 3609/4885MAPT 3077/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885KDM4E 3609/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885KDM4E 3609/4885MAPT 3077/4885

“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.