SCHEMBL426758

SCHEMBL426758

Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)on1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.66
ALDH1A1 P00352 5/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAPT P10636 14/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 3/20 0.65
TP53 P04637 3/20 0.62
NPSR1 Q6W5P4 2/20 0.61
MPO P05164 1/20 0.61
POLB P06746 2/20 0.59
USP2 O75604 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
BRCA1 P38398 1/20 0.59
RECQL P46063 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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 0.84 ALDH1A1 (0.67) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10166020 0.84 MAPT (0.71) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL428803 0.83 ALDH1A1 (0.76) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL15788373 0.82 ALDH1A1 (0.79) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL430097 0.81 ADORA2A (0.82) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL425034 0.81 ALDH1A1 (0.67) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL428804 0.80 MAPT (0.75) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL15788375 0.80 ADORA2A (0.66) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL432146 0.80 ADORA2A (0.69) ADORA2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL13186294 0.80 MAPT (0.77) ADORA2AALDH1A1CYP1A2CYP2C19MAPT

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 13 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
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 ADORA2A 355/4885ALDH1A1 1271/4885CYP1A2 1334/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ADORA2A 356/4885ALDH1A1 1400/4885CYP1A2 1330/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ADORA2A 356/4885ALDH1A1 1400/4885CYP1A2 1330/4885

“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.