SCHEMBL425034

SCHEMBL425034

CN1CCc2nc3sc(C(=O)Nc4nncs4)c(N)c3cc2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
ADORA2A P29274 1/20 0.67
MAPT P10636 15/20 0.66
KDM4E B2RXH2 5/20 0.66
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
TP53 P04637 3/20 0.63
NPSR1 Q6W5P4 2/20 0.62
MPO P05164 1/20 0.61
POLB P06746 4/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
HSP90AA1 P07900 1/20 0.58
GAA P10253 1/20 0.58
PTK2B Q14289 1/20 0.58
SHMT2 P34897 1/20 0.58
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 2/20 0.57

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
SCHEMBL430498 0.85 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL425577 0.84 MAPT (0.74) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL15788373 0.83 ALDH1A1 (0.79) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL14955304 0.82 MAPT (0.71) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL430097 0.82 ADORA2A (0.82) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL428803 0.81 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL10166020 0.81 MAPT (0.71) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL427637 0.81 MAPT (0.68) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL426758 0.81 ADORA2A (0.66) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT
SCHEMBL429191 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19ADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 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 (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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885CYP1A2 1334/4885CYP2C19 1130/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885CYP1A2 1330/4885CYP2C19 1195/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885CYP1A2 1330/4885CYP2C19 1195/4885

“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.