SCHEMBL577211

SCHEMBL577211

N#Cc1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
RPS6KB2 Q9UBS0 5/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
PIM1 P11309 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL577161 0.79 CYP2A6 (0.40) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL578083 0.79 NPC1 (0.49) KDM4EALDH1A1RPS6KB2ADORA2AMEN1
SCHEMBL577301 0.79 KMT2A (0.45) KDM4EALDH1A1RPS6KB2MEN1KMT2A
SCHEMBL577571 0.79 RPS6KB2 (0.46) KDM4EALDH1A1RPS6KB2MEN1KMT2A
SCHEMBL577508 0.78 KDM4E (0.49) KDM4EALDH1A1LMNARPS6KB2ADORA2A
SCHEMBL577988 0.77 RPS6KB2 (0.42) KDM4EALDH1A1RPS6KB2ADORA2AADORA1
SCHEMBL577427 0.76 ALDH1A1 (0.41) ABCG2KDM4EALDH1A1LMNARPS6KB2
SCHEMBL577984 0.76 RPS6KB2 (0.40) KDM4EALDH1A1LMNARPS6KB2MEN1
SCHEMBL577397 0.76 KDM1A (0.41) KDM4EALDH1A1LMNARPS6KB2ADORA2A
SCHEMBL577715 0.75 RPS6KB2 (0.55) KDM4EALDH1A1LMNARPS6KB2PIM1

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 ABCG2 1132/4885KDM4E 3609/4885ALDH1A1 1913/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ABCG2 1132/4885KDM4E 3609/4885ALDH1A1 1913/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ABCG2 1132/4885KDM4E 3609/4885ALDH1A1 1913/4885

“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.