SCHEMBL428775

SCHEMBL428775

CC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.81
NPC1 O15118 11/20 0.81
POLB P06746 3/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
MAPT P10636 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
THRB P10828 1/20 0.73
TP53 P04637 3/20 0.69
RXFP1 Q9HBX9 1/20 0.69
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
HTT P42858 1/20 0.65
GAA P10253 2/20 0.65
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 2/20 0.61
MITF O75030 1/20 0.61
PAX8 Q06710 1/20 0.61
CHRM4 P08173 1/20 0.61

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
SCHEMBL425173 0.89 RAB9A (0.72) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL18537585 0.88 RAB9A (0.84) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL23695577 0.87 RAB9A (1.00) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL430103 0.87 RAB9A (0.83) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL19000066 0.87 RAB9A (0.82) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL428098 0.86 RAB9A (1.00) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL19000373 0.85 RAB9A (0.79) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL426211 0.84 RAB9A (0.78) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL427434 0.84 MAPT (1.00) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL425768 0.83 RAB9A (0.78) RAB9ANPC1POLBMEN1KMT2A

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 10 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
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-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.