SCHEMBL16014635

SCHEMBL16014635

Cn1ncnc1-c1ccc(-n2nc(N)nc2N)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.34
SIGMAR1 Q99720 8/20 0.33
KCNH2 Q12809 2/20 0.33
CRHR1 P34998 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CNR1 P21554 1/20 0.31
TP53 P04637 2/20 0.31
HTR2C P28335 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
SCHEMBL16014420 0.81 LMNA (0.39) CRHR1HSD11B1MAPTHSP90AA1HSP90AB1
SCHEMBL15556443 0.76 MEN1 (0.49) MAPTTP53
SCHEMBL16014644 0.76 CYP3A4 (0.43) BDKRB2CRHR1HSD11B1MAPT
SCHEMBL17394210 0.75 HSP90AA1 (0.42) MAPTHSP90AA1HSP90AB1
SCHEMBL16014851 0.74 CSNK2A1 (0.42) MAPTHSP90AA1HSP90AB1
SCHEMBL17393953 0.72 AR (0.39) MAPTTP53
SCHEMBL17394094 0.71 HSD11B1 (0.39) HSD11B1
SCHEMBL16458325 0.71 POLB (0.33) MAPT
SCHEMBL15556633 0.70 MEN1 (0.33) MAPT
SCHEMBL17393824 0.70 DPP4 (0.40) MAPT

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
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP claimed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US claimed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US claimed
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-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 BDKRB2 3227/4885SIGMAR1 582/4885KCNH2 4381/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS BDKRB2 3227/4885SIGMAR1 582/4885KCNH2 4381/4885

“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.