SCHEMBL431980

SCHEMBL431980

Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCC3

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.79
TP53 P04637 8/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
RXFP1 Q9HBX9 1/20 0.79
NPC1 O15118 6/20 0.78
RAB9A P51151 6/20 0.78
CASP3 P42574 1/20 0.78
KLF5 Q13887 1/20 0.78
SENP8 Q96LD8 1/20 0.78
SENP7 Q9BQF6 1/20 0.78
SENP6 Q9GZR1 1/20 0.78
POLB P06746 6/20 0.74
ADORA2A P29274 1/20 0.71
TDP1 Q9NUW8 2/20 0.71
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 2/20 0.61
EEF2K O00418 1/20 0.61
LMNA P02545 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60

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
SCHEMBL22542446 0.98 MAPT (0.82) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL429261 0.97 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL13186409 0.90 MAPT (0.77) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL18537615 0.90 MAPT (0.77) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL425543 0.89 MAPT (0.71) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL10134580 0.89 MAPT (0.76) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL17585981 0.89 MAPT (0.76) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL22542451 0.89 MAPT (0.76) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL17586007 0.89 MAPT (0.76) MAPTTP53SMN1; SMN2RXFP1NPC1
SCHEMBL13186366 0.88 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1NPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2023-10-26 US disclosed
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2023-10-26 US disclosed
US-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells UNIVERSITE DE MONTREAL (CA) 2023-07-11 US disclosed
US-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells UNIVERSITE DE MONTREAL (CA) 2023-07-11 US disclosed
US-20200323923-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2020-10-15 US disclosed
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
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS THE UNIVERSITY OF CHICAGO (US) 2016-03-17 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 (7 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 138/4885TP53 3355/4885SMN1; SMN2 993/4885
US-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells MCL1, CD47, BMI1 MAPT 2684/4885TP53 128/4885SMN1; SMN2 391/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885TP53 3393/4885SMN1; SMN2 1076/4885
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS MCL1, CD47, BMI1 MAPT 2684/4885TP53 128/4885SMN1; SMN2 391/4885
US-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS CLINT1, QSOX1, ACOX1 MAPT 3330/4885TP53 1476/4885SMN1; SMN2 1983/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885TP53 3393/4885SMN1; SMN2 1076/4885
US-20200323923-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS MCL1, CD47, BMI1 MAPT 2684/4885TP53 128/4885SMN1; SMN2 391/4885

“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.