SCHEMBL14955161

SCHEMBL14955161

Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.58
MAPT P10636 10/20 0.55
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
LIMK1 P53667 1/20 0.54
RECQL P46063 1/20 0.49
TLR9 Q9NR96 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 3/20 0.46
POLB P06746 3/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
KDM4E B2RXH2 5/20 0.46
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL16071464 0.85 MAPT (0.66) ADORA2AMAPTIKBKBCHUKLIMK1
SCHEMBL14955101 0.82 MAPT (0.64) ADORA2AMAPTIKBKBCHUKLIMK1
SCHEMBL14955704 0.82 MAPT (0.60) MAPTIKBKBLIMK1RECQLTLR9
SCHEMBL14955295 0.80 MAPT (0.74) MAPTLIMK1RECQLTLR9MEN1
SCHEMBL13186308 0.80 MAPT (0.62) ADORA2AMAPTRECQLTLR9MEN1
SCHEMBL14954689 0.79 MAPT (0.74) MAPTRECQLTLR9MEN1KMT2A
SCHEMBL8242643 0.79 ADORA2A (0.79) ADORA2AMAPTIKBKBCHUKLIMK1
SCHEMBL16071452 0.78 ADORA2A (0.63) ADORA2AMAPTIKBKBCHUKLIMK1
SCHEMBL14955133 0.78 ADORA2A (0.62) ADORA2AMAPTIKBKBCHUKLIMK1
SCHEMBL16071453 0.77 ADORA2A (0.58) ADORA2AMAPTIKBKBCHUKLIMK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ADORA2A 356/4885MAPT 85/4885IKBKB 2004/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ADORA2A 356/4885MAPT 85/4885IKBKB 2004/4885

“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.