SCHEMBL427286

SCHEMBL427286

Cc1cc(F)ccc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.71
ADORA2A P29274 1/20 0.67
ALDH1A1 P00352 5/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 3/20 0.63
TP53 P04637 2/20 0.63
NPSR1 Q6W5P4 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MPO P05164 1/20 0.61
SHMT2 P34897 1/20 0.57
POLB P06746 3/20 0.56
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
PTK2B Q14289 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL431764 0.93 MAPT (0.71) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL426184 0.92 MAPT (0.75) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL432146 0.91 ADORA2A (0.69) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL428443 0.88 MAPT (0.73) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL430301 0.87 ADORA2A (0.83) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL426042 0.86 MAPT (0.82) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL19000378 0.83 MAPT (0.59) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL430882 0.83 MAPT (1.00) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL18537571 0.83 MAPT (0.78) MAPTADORA2AALDH1A1CYP1A2CYP2C19
SCHEMBL431323 0.82 MAPT (0.80) MAPTADORA2AALDH1A1CYP1A2CYP2C19

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
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 MAPT 138/4885ADORA2A 355/4885ALDH1A1 1271/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885ADORA2A 356/4885ALDH1A1 1400/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885ADORA2A 356/4885ALDH1A1 1400/4885

“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.