SCHEMBL426251

SCHEMBL426251

Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)CCCCC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.78
POLB P06746 10/20 0.78
TP53 P04637 9/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
RXFP1 Q9HBX9 1/20 0.78
ADORA2A P29274 1/20 0.74
TDP1 Q9NUW8 3/20 0.70
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
CASP3 P42574 1/20 0.68
KLF5 Q13887 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
EEF2K O00418 1/20 0.64
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
RECQL P46063 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
SCHEMBL22542452 0.99 MAPT (0.79) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL10134580 0.97 MAPT (0.76) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL18537666 0.91 MAPT (0.80) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL10134578 0.90 MAPT (0.81) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL429261 0.89 MAPT (0.81) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL13186366 0.89 MAPT (0.81) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL13392909 0.89 TDP1 (0.81) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL426553 0.88 MAPT (0.80) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL14969370 0.88 MAPT (0.80) MAPTPOLBTP53SMN1; SMN2RXFP1
SCHEMBL22542446 0.88 MAPT (0.82) MAPTPOLBTP53SMN1; SMN2RXFP1

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 8 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-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
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 MAPT 138/4885POLB 4109/4885TP53 3355/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885TP53 3393/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885POLB 4278/4885TP53 3393/4885

“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.