SCHEMBL430440

SCHEMBL430440

N#Cc1cc2c(N)c(C(=O)Nc3ccccc3Br)sc2nc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.74
RAB9A P51151 5/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
KDM4E B2RXH2 3/20 0.74
HTT P42858 2/20 0.74
NPC1 O15118 3/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 5/20 0.61
ALDH1A1 P00352 3/20 0.61
RXFP1 Q9HBX9 4/20 0.59
TP53 P04637 4/20 0.56
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 1/20 0.45
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL429448 0.88 MAPT (0.74) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18537725 0.87 MAPT (0.76) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13186307 0.86 MAPT (0.61) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL427212 0.85 MAPT (0.70) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL427862 0.84 MAPT (0.70) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL429315 0.80 MAPT (0.74) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10134567 0.80 MAPT (0.82) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL430547 0.78 MAPT (0.76) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL428871 0.77 MAPT (0.74) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6251169 0.77 MAPT (0.70) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US 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 MAPT 138/4885RAB9A 1654/4885SMN1; SMN2 993/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885RAB9A 1518/4885SMN1; SMN2 1076/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885RAB9A 1518/4885SMN1; SMN2 1076/4885

“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.