SCHEMBL6743326

SCHEMBL6743326

Nc1nc(Nc2cccc(Cl)c2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
MAPT P10636 1/20 1.00
GFER P55789 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
JAK2 O60674 1/20 0.57

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
SCHEMBL15606404 0.83 GAA (0.71) GAAMAPTGFERMEN1KMT2A
SCHEMBL17394225 0.82 GAA (0.69) GAAMAPT
SCHEMBL15606398 0.81 GAA (0.68) GAAMAPTGFERMEN1KMT2A
SCHEMBL12864572 0.81 GAA (0.68) GAAMAPTGFERMEN1KMT2A
SCHEMBL31272020 0.80 GAA (1.00) GAAMAPTGFERMEN1KMT2A
SCHEMBL6744037 0.80 GAA (1.00) GAAMAPTGFERMEN1KMT2A
SCHEMBL31271944 0.79 GAA (0.69) GAAMAPTGFERMEN1KMT2A
SCHEMBL18856668 0.78 GAA (0.63) GAAMAPTGFERMEN1KMT2A
SCHEMBL18856735 0.78 GAA (0.63) GAAMAPTGFERMEN1KMT2A
SCHEMBL28159939 0.78 MAPT (0.63) GAAMAPTGFERJAK2

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 10 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
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
CN-100357278-C Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2007-12-26 CN disclosed
CN-1575284-A Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2005-02-02 CN disclosed
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-22 US 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 (3 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885MAPT 4508/4885GFER 3631/4885
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 GAA 2029/4885MAPT 1570/4885GFER 4650/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885MAPT 4508/4885GFER 3631/4885

“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.