SCHEMBL431989

SCHEMBL431989

CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.66
POLB P06746 1/20 0.66
ALDH1A1 P00352 7/20 0.66
MEN1 O00255 7/20 0.66
HPGD P15428 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPC1 O15118 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 8/20 0.62
RXFP1 Q9HBX9 2/20 0.62
KDM4E B2RXH2 6/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53

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
SCHEMBL431962 0.85 KMT2A (0.77) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL23009467 0.85 KMT2A (0.73) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL14955051 0.85 KMT2A (0.76) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL19769226 0.84 KMT2A (0.74) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL430632 0.78 KMT2A (0.64) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL18805545 0.77 KMT2A (0.62) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL23009463 0.77 ALDH1A1 (0.67) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL19000085 0.76 KMT2A (0.59) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL18999965 0.76 FOXM1 (0.68) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL429729 0.76 FOXM1 (0.85) KMT2APOLBALDH1A1MEN1HPGD

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 19 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
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
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
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
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-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 KMT2A 2433/4885POLB 4109/4885ALDH1A1 1271/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 KMT2A 2603/4885POLB 4278/4885ALDH1A1 1400/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 KMT2A 2603/4885POLB 4278/4885ALDH1A1 1400/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 KMT2A 2433/4885POLB 4109/4885ALDH1A1 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.