SCHEMBL426573

SCHEMBL426573

Nc1c(C(=O)Nc2nnc(-c3ccccc3)s2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.78
MEN1 O00255 11/20 0.78
MAPT P10636 11/20 0.78
KDM4E B2RXH2 5/20 0.78
POLB P06746 5/20 0.78
CYP1A2 P05177 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2C19 P33261 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
TDP1 Q9NUW8 2/20 0.78
RECQL P46063 1/20 0.78
MCL1 Q07820 1/20 0.78
GPR35 Q9HC97 1/20 0.78
HPGD P15428 7/20 0.74
ALDH1A1 P00352 6/20 0.74
CRHBP P24387 3/20 0.74
CRHR2 Q13324 3/20 0.74
HTT P42858 2/20 0.74
BLM P54132 1/20 0.74
RXFP1 Q9HBX9 3/20 0.70

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
SCHEMBL428645 0.86 KMT2A (0.81) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL17791869 0.85 KDM4E (0.57) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL18537673 0.83 MAPT (0.88) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL13568307 0.82 KMT2A (0.76) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL14954964 0.82 LIMK1 (0.84) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL29558180 0.82 MAPT (1.00) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL13186381 0.82 MAPT (0.86) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL19000365 0.82 MAPT (0.86) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL19853111 0.82 MAPT (1.00) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL430632 0.82 KMT2A (0.64) KMT2AMEN1MAPTKDM4EPOLB

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 KMT2A 2433/4885MEN1 3284/4885MAPT 138/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 KMT2A 2603/4885MEN1 3532/4885MAPT 85/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 KMT2A 2603/4885MEN1 3532/4885MAPT 85/4885

“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.