SCHEMBL16014783

SCHEMBL16014783

Cn1ncnc1-c1ccc(N=C=S)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
BDKRB2 P30411 1/20 0.34
GABRA1 P14867 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL16022680 0.85 HSD11B1 (0.37) HSD11B1BDKRB2EGLN2
SCHEMBL18653357 0.80 MAOB (0.36) HSD11B1BDKRB2EGLN2
SCHEMBL17358317 0.79 MAOB (0.34) HSD11B1BDKRB2EGLN2
SCHEMBL16014630 0.78 SMN1; SMN2 (0.41) HSD11B1MAPK1TDP1
SCHEMBL16014644 0.74 CYP3A4 (0.43) HSD11B1BDKRB2EGLN2
SCHEMBL16022569 0.72 SMN1; SMN2 (0.48) EGLN2
SCHEMBL62416 0.69 HTR3E (0.46) GABRA1MAPK1TDP1
SCHEMBL16014880 0.69 HSD17B10 (0.46) HSD11B1MAPK1TDP1
SCHEMBL16013709 0.68 MIF (0.45) HSD11B1MAPK1TDP1
SCHEMBL9741692 0.67 MIF (0.48) HSD11B1MAPK1TDP1

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-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP 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
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
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (2 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 HSD11B1 1351/4885BDKRB2 3227/4885GABRA1 4103/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HSD11B1 1351/4885BDKRB2 3227/4885GABRA1 4103/4885

“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.