SCHEMBL14955157

SCHEMBL14955157

CN1CCc2nc3sc(C(=O)O)c(N)c3c(-c3cccs3)c2C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.79
NPSR1 Q6W5P4 6/20 0.79
ALDH1A1 P00352 12/20 0.71
KMT2A Q03164 7/20 0.71
POLB P06746 1/20 0.71
MEN1 O00255 5/20 0.69
HPGD P15428 4/20 0.61
HTT P42858 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 3/20 0.60
KDM4E B2RXH2 4/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
EEF2K O00418 4/20 0.44
IKBKB O14920 1/20 0.42
CXCR5 P32302 1/20 0.42
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL430245 0.89 MAPT (0.84) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL426621 0.88 MAPT (1.00) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL14954831 0.86 ALDH1A1 (0.60) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL426622 0.86 MAPT (0.77) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL18999953 0.85 MAPT (0.79) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL13941660 0.85 ALDH1A1 (0.72) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL426544 0.84 MAPT (0.75) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL426200 0.84 MAPT (0.78) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL4105124 0.84 MAPT (0.60) MAPTNPSR1ALDH1A1KMT2APOLB
SCHEMBL13991623 0.84 ALDH1A1 (0.71) MAPTNPSR1ALDH1A1KMT2APOLB

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 6 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
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-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 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-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885NPSR1 3044/4885ALDH1A1 1400/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885NPSR1 3044/4885ALDH1A1 1400/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 138/4885NPSR1 3045/4885ALDH1A1 1271/4885

“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.