SCHEMBL577974

SCHEMBL577974

O=C1[N]N=Cc2c1[nH]c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GPR3 P46089 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
TNKS O95271 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PARP15 Q460N3 1/20 0.41

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
SCHEMBL3151147 0.66 KDM4E (0.50) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL468781 0.64 KDM4E (0.44) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL7412080 0.64 ALDH1A1 (0.48) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL1982192 0.63 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL4146783 0.62 ALDH1A1 (0.90) KDM4EALDH1A1HPGDLMNAGAA
Acridone SCHEMBL29641306 0.62 ALDH1A1 (1.00) KDM4EALDH1A1HPGDLMNAGAA
Acridone SCHEMBL11519726 0.62 ALDH1A1 (1.00) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL30350396 0.62 ALDH1A1 (0.90) KDM4EALDH1A1HPGDLMNAGAA
Acridone SCHEMBL29360611 0.62 ALDH1A1 (1.00) KDM4EALDH1A1HPGDLMNAGAA
Acridone SCHEMBL19289 0.62 ALDH1A1 (1.00) KDM4EALDH1A1HPGDLMNAGAA

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 KDM4E 3609/4885ALDH1A1 1913/4885HPGD 903/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885HPGD 903/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885HPGD 903/4885

“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.