SCHEMBL426230

SCHEMBL426230

Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3c(cc12)CCCC3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.76
TP53 P04637 7/20 0.76
MAPT P10636 9/20 0.75
SMN1; SMN2 Q16637 4/20 0.74
TDP1 Q9NUW8 2/20 0.73
RXFP1 Q9HBX9 1/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
CASP3 P42574 1/20 0.61
KLF5 Q13887 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
ADORA2A P29274 2/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
EEF2K O00418 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 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
SCHEMBL14955085 0.99 POLB (0.78) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL426475 0.87 TP53 (0.98) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL426501 0.86 POLB (1.00) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL14955247 0.86 MAPT (0.80) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL428146 0.85 POLB (0.94) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL17586009 0.85 MAPT (1.00) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL430703 0.85 MAPT (0.78) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL14955190 0.84 POLB (0.79) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL17585984 0.83 MAPT (0.96) POLBTP53MAPTSMN1; SMN2TDP1
SCHEMBL17585994 0.83 MAPT (0.75) POLBTP53MAPTSMN1; SMN2TDP1

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 POLB 4109/4885TP53 3355/4885MAPT 138/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 POLB 4278/4885TP53 3393/4885MAPT 85/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 POLB 4278/4885TP53 3393/4885MAPT 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.