SCHEMBL432032

SCHEMBL432032

Nc1c(C(=O)Nc2nnc(-c3ccccc3)s2)sc2nc3c(cc12)CCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
POLB P06746 9/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
KDM4E B2RXH2 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
RECQL P46063 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
RUNX1 Q01196 1/20 0.65
CBFB Q13951 1/20 0.65
TP53 P04637 9/20 0.62
RXFP1 Q9HBX9 1/20 0.61
CASP3 P42574 1/20 0.61
KLF5 Q13887 1/20 0.61
SENP8 Q96LD8 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
SCHEMBL426699 0.98 MAPT (0.68) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL192517 0.97 MAPT (0.69) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL192254 0.90 MAPT (0.55) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL193464 0.89 MAPT (0.55) MAPTPOLBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL426856 0.89 MAPT (0.54) MAPTPOLBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL427190 0.89 MAPT (0.54) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL18537618 0.88 MAPT (0.64) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL14955151 0.86 MAPT (0.67) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL14955304 0.86 MAPT (0.71) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL431980 0.85 MAPT (0.79) MAPTPOLBSMN1; SMN2NPC1RAB9A

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 15 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-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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO 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 (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 MAPT 138/4885POLB 4109/4885SMN1; SMN2 993/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885SMN1; SMN2 1076/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885SMN1; SMN2 1076/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 138/4885POLB 4109/4885SMN1; SMN2 993/4885

“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.