SCHEMBL425121

SCHEMBL425121

CCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.71
MPO P05164 1/20 0.71
TP53 P04637 6/20 0.69
ADORA2A P29274 1/20 0.68
THRB P10828 2/20 0.67
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 3/20 0.63
KMT2A Q03164 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.61
BRCA1 P38398 1/20 0.61
RECQL P46063 1/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL18537665 0.89 MAPT (0.57) MAPTMPOTP53ADORA2ATHRB
SCHEMBL10166483 0.87 MAPT (0.79) MAPTMPOTP53ADORA2ATHRB
SCHEMBL430097 0.86 ADORA2A (0.82) MAPTMPOTP53ADORA2ATHRB
SCHEMBL427153 0.85 ADORA2A (0.82) MAPTMPOTP53ADORA2AALDH1A1
SCHEMBL432028 0.83 MAPT (1.00) MAPTMPOTP53ADORA2ATHRB
SCHEMBL424745 0.83 TDP1 (0.74) MAPTMPOTP53ADORA2AALDH1A1
SCHEMBL430301 0.83 ADORA2A (0.83) MAPTMPOTP53ADORA2ATHRB
SCHEMBL428063 0.81 MAPT (1.00) MAPTMPOTP53ADORA2ATHRB
SCHEMBL428923 0.81 ADORA2A (0.80) MAPTMPOTP53ADORA2ATHRB
SCHEMBL430160 0.81 ADORA2A (1.00) MAPTMPOTP53ADORA2ATHRB

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
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
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 MAPT 138/4885MPO 2720/4885TP53 3355/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885MPO 2779/4885TP53 3393/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885MPO 2779/4885TP53 3393/4885

“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.