SCHEMBL429191

SCHEMBL429191

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
MAPT P10636 13/20 0.73
KMT2A Q03164 4/20 0.73
KDM4E B2RXH2 3/20 0.73
MEN1 O00255 3/20 0.73
NPSR1 Q6W5P4 2/20 0.68
ADORA2A P29274 1/20 0.68
TP53 P04637 3/20 0.64
POLB P06746 2/20 0.63
LMNA P02545 1/20 0.63
HSP90AA1 P07900 1/20 0.63
GAA P10253 1/20 0.63
HPGD P15428 1/20 0.63
PTK2B Q14289 1/20 0.63
SHMT2 P34897 1/20 0.63
USP2 O75604 1/20 0.63
THRB P10828 1/20 0.63
ALOX15 P16050 1/20 0.63

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
SCHEMBL15788373 0.88 ALDH1A1 (0.79) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL428803 0.86 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL13186294 0.85 MAPT (0.77) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL14954741 0.85 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL19769239 0.85 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL428713 0.84 MAPT (1.00) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL428804 0.84 MAPT (0.75) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL429402 0.84 ADORA2A (0.80) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL430097 0.83 ADORA2A (0.82) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL14954723 0.83 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP2C19MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885CYP1A2 1334/4885CYP2C19 1130/4885

“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.