SCHEMBL15544283

SCHEMBL15544283

N#Cc1c(Cl)cc(N=C=S)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.37
P2RY6 Q15077 1/20 0.33
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15544215 0.83 KDM4E (0.37) MEN1ALDH1A1TP53MAPTHPGD
SCHEMBL16022682 0.78 MEN1 (0.33) MAPK1MEN1ALDH1A1TP53CYP3A4
SCHEMBL15556032 0.78 HTR3E (0.43) MIFP2RY6MAPK1TDP1ALDH1A1
SCHEMBL15556105 0.76 MIF (0.41) MIFP2RY6MAPK1TDP1ALDH1A1
SCHEMBL15727807 0.75 TRPV4 (0.48) MIFP2RY6
SCHEMBL30872749 0.75 TRPV4 (0.48) MIFP2RY6MAPK1TDP1ALDH1A1
SCHEMBL7831167 0.75 TRPV4 (0.48) MIFP2RY6MAPK1TDP1ALDH1A1
SCHEMBL18653330 0.74 MEN1 (0.33) MAPK1MEN1ALDH1A1TP53CYP3A4
SCHEMBL15556068 0.74 MIF (0.39) MIFP2RY6MAPK1TDP1
SCHEMBL15555837 0.74 MIF (0.39) MIFP2RY6MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964637-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9428469-B2 Antiviral compounds HOFFMANN-LA ROCHE (US) 2016-08-30 US disclosed
US-20160009666-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2016-01-14 US disclosed
EP-2964637-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
EP-2964633-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
CN-105008350-A Antiviral compounds HOFFMANN LA ROCHE HOFFMANN LA ROCHE 2015-10-28 CN disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
WO-2014135422-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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 (5 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-20160009666-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MIF 115/4885P2RY6 1604/4885MAPK1 2258/4885
US-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MIF 122/4885P2RY6 1678/4885MAPK1 2230/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MIF 122/4885P2RY6 1678/4885MAPK1 2230/4885
US-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MIF 200/4885P2RY6 1513/4885MAPK1 2229/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MIF 200/4885P2RY6 1513/4885MAPK1 2229/4885

“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.