SCHEMBL431860

SCHEMBL431860

CC(NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
POLB P06746 2/20 0.73
LMNA P02545 1/20 0.73
HSP90AA1 P07900 1/20 0.73
GAA P10253 1/20 0.73
HPGD P15428 1/20 0.73
PTK2B Q14289 1/20 0.73
MAPT P10636 14/20 0.66
KDM4E B2RXH2 3/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPSR1 Q6W5P4 2/20 0.59
ADORA2A P29274 1/20 0.59
USP2 O75604 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
BRCA1 P38398 1/20 0.59

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
SCHEMBL18537661 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL18818613 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL13186361 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL428803 0.85 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL19000232 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL15788373 0.81 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL17791874 0.80 MAPT (0.62) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL428713 0.80 MAPT (1.00) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL429191 0.78 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL13186294 0.78 MAPT (0.77) ALDH1A1KMT2AMEN1POLBLMNA

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 9 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
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
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 ALDH1A1 1271/4885KMT2A 2433/4885MEN1 3284/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KMT2A 2603/4885MEN1 3532/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KMT2A 2603/4885MEN1 3532/4885

“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.