SCHEMBL428534

SCHEMBL428534

COc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
NPC1 O15118 5/20 0.76
POLB P06746 1/20 0.76
FOXM1 Q08050 2/20 0.73
LMNA P02545 1/20 0.66
MAPT P10636 5/20 0.64
NPSR1 Q6W5P4 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
THRB P10828 1/20 0.56
TP53 P04637 1/20 0.56
RXFP1 Q9HBX9 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
SCHEMBL10134575 0.91 RAB9A (0.74) RAB9ANPC1POLBFOXM1LMNA
SCHEMBL4892272 0.89 LMNA (0.73) RAB9ANPC1POLBFOXM1LMNA
SCHEMBL428098 0.86 RAB9A (1.00) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL429729 0.85 FOXM1 (0.85) RAB9ANPC1POLBFOXM1MAPT
SCHEMBL29707105 0.85 FOXM1 (1.00) RAB9ANPC1POLBFOXM1MAPT
SCHEMBL429441 0.83 LMNA (0.71) RAB9ANPC1FOXM1LMNAMAPT
SCHEMBL13568311 0.80 LMNA (0.73) RAB9ANPC1POLBFOXM1LMNA
SCHEMBL428632 0.80 RAB9A (0.70) RAB9ANPC1POLBFOXM1LMNA
SCHEMBL18537671 0.80 LMNA (0.66) RAB9ANPC1POLBLMNAMAPT
SCHEMBL427441 0.79 LMNA (0.65) RAB9ANPC1POLBLMNAMAPT

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 RAB9A 1654/4885NPC1 2091/4885POLB 4109/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 RAB9A 1518/4885NPC1 1976/4885POLB 4278/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 RAB9A 1518/4885NPC1 1976/4885POLB 4278/4885

“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.