SCHEMBL15544207

SCHEMBL15544207

CSC(=NC#N)Nc1cc(Cl)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.36
KDR P35968 3/20 0.33
ACP1 P24666 1/20 0.32
AR P10275 2/20 0.32
OTUD7B Q6GQQ9 1/20 0.31
LMNA P02545 1/20 0.31
RAPGEF3 O95398 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
IDO1 P14902 1/20 0.30
PDK1 Q15118 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL15544204 1.00 TMPRSS4 (0.36) TMPRSS4KDRACP1AROTUD7B
SCHEMBL18726901 0.88 HTT (0.33) TMPRSS4ACP1ARLMNA
SCHEMBL15544951 0.87 IDO1 (0.35) IDO1
SCHEMBL15544948 0.87 IDO1 (0.35) IDO1
SCHEMBL15907321 0.86 ACP1 (0.33) TMPRSS4ACP1AR
SCHEMBL16471329 0.86 KDR (0.33) TMPRSS4KDRARLMNARAPGEF3
SCHEMBL15544863 0.85 MAP2K1 (0.34) KDRARLMNARAPGEF3RAPGEF4
SCHEMBL16471301 0.84 NPC1 (0.32) LMNAIDO1
SCHEMBL15544255 0.82 RAPGEF3 (0.43) KDRARLMNARAPGEF3IDO1
SCHEMBL15544253 0.82 RAPGEF3 (0.43) KDRARLMNARAPGEF3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
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-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US 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
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 (6 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 TMPRSS4 1200/4885KDR 4550/4885ACP1 4436/4885
US-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TMPRSS4 1031/4885KDR 4540/4885ACP1 4418/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TMPRSS4 1031/4885KDR 4540/4885ACP1 4418/4885
US-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TMPRSS4 1166/4885KDR 4351/4885ACP1 4522/4885
US-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TMPRSS4 1166/4885KDR 4351/4885ACP1 4522/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TMPRSS4 1166/4885KDR 4351/4885ACP1 4522/4885

“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.