SCHEMBL428632

SCHEMBL428632

Cc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
MAPT P10636 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 3/20 0.70
USP2 O75604 1/20 0.70
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
LMNA P02545 1/20 0.66
DDAH1 O94760 1/20 0.54
KDM4E B2RXH2 3/20 0.51
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
PAX8 Q06710 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50

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 0.86 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13568311 0.84 LMNA (0.73) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18537671 0.84 LMNA (0.66) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4892272 0.82 LMNA (0.73) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL428534 0.80 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL427441 0.79 LMNA (0.65) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL429441 0.79 LMNA (0.71) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4888275 0.78 USP28 (0.74) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL431480 0.78 LMNA (0.69) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL463170 0.78 LMNA (0.58) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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
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
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 2091/4885MAPT 138/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 RAB9A 1518/4885NPC1 1976/4885MAPT 85/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 RAB9A 1518/4885NPC1 1976/4885MAPT 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.