SCHEMBL426129

SCHEMBL426129

CCN1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.80
POLB P06746 2/20 0.69
TP53 P04637 7/20 0.66
KMT2A Q03164 1/20 0.64
THRB P10828 1/20 0.64
ADORA2A P29274 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
ACKR3 P25106 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL17585996 0.90 MAPT (0.86) MAPTPOLBTP53KMT2ATHRB
SCHEMBL430931 0.89 ADORA2A (0.79) MAPTPOLBTP53KMT2ATHRB
SCHEMBL17585986 0.89 MAPT (0.83) MAPTPOLBTP53KMT2ATHRB
SCHEMBL18525215 0.88 MAPT (0.62) MAPTPOLBTP53KMT2ATHRB
SCHEMBL426141 0.87 MAPT (0.72) MAPTPOLBTP53THRBADORA2A
SCHEMBL17585997 0.86 MAPT (0.79) MAPTPOLBTP53KMT2ATHRB
SCHEMBL17586005 0.85 MAPT (0.78) MAPTPOLBTP53KMT2ATHRB
SCHEMBL17585999 0.82 MAPT (0.78) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL13392909 0.82 TDP1 (0.81) MAPTPOLBTP53ADORA2ASMN1; SMN2
SCHEMBL426425 0.82 MAPT (1.00) MAPTPOLBTP53KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US claimed
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-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
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 (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 MAPT 138/4885POLB 4109/4885TP53 3355/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885TP53 3393/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885TP53 3393/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 138/4885POLB 4109/4885TP53 3355/4885

“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.