SCHEMBL15907321

SCHEMBL15907321

CS/C(=N\C#N)Nc1cc(F)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
AR P10275 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
SCHEMBL18726901 0.89 HTT (0.33) ACP1TMPRSS4AR
SCHEMBL18856804 0.88
SCHEMBL15544207 0.86 TMPRSS4 (0.36) ACP1TMPRSS4AR
SCHEMBL15544204 0.86 TMPRSS4 (0.36) ACP1TMPRSS4AR
SCHEMBL18856832 0.83 MEN1 (0.30)
SCHEMBL16471301 0.82 NPC1 (0.32)
SCHEMBL16471346 0.80
SCHEMBL18723686 0.80 ACP1 (0.33) ACP1TMPRSS4AR
SCHEMBL16471329 0.80 KDR (0.33) TMPRSS4AR
SCHEMBL15544863 0.77 MAP2K1 (0.34) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US 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-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US 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-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
WO-2014114573-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4418/4885TMPRSS4 1031/4885AR 4500/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4418/4885TMPRSS4 1031/4885AR 4500/4885
US-20140242028-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4522/4885TMPRSS4 1166/4885AR 4573/4885
US-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4522/4885TMPRSS4 1166/4885AR 4573/4885
US-20150353511-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4522/4885TMPRSS4 1166/4885AR 4573/4885

“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.