SCHEMBL432028

SCHEMBL432028

CN1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 1.00
MPO P05164 1/20 1.00
ADORA2A P29274 1/20 0.70
TP53 P04637 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
KMT2A Q03164 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.61
POLB P06746 3/20 0.60
SHMT2 P34897 1/20 0.56
USP2 O75604 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL10166483 0.89 MAPT (0.79) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL430097 0.88 ADORA2A (0.82) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL427153 0.87 ADORA2A (0.82) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL424745 0.85 TDP1 (0.74) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL425121 0.83 MAPT (0.71) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL428923 0.82 ADORA2A (0.80) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL430160 0.82 ADORA2A (1.00) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL430301 0.82 ADORA2A (0.83) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL425455 0.82 ADORA2A (0.82) MAPTMPOADORA2ATP53SMN1; SMN2
SCHEMBL430882 0.81 MAPT (1.00) MAPTMPOADORA2ATP53SMN1; SMN2

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 11 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

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 2720/4885ADORA2A 355/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885MPO 2779/4885ADORA2A 356/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885MPO 2779/4885ADORA2A 356/4885

“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.