SCHEMBL17402829

SCHEMBL17402829

Nc1nc(Nc2ccc(-c3ccccc3)cc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.81
GFER P55789 2/20 0.81
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
JAK2 O60674 1/20 0.56
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL6744037 0.90 GAA (1.00) GAAGFERMEN1KMT2AJAK2
SCHEMBL17393904 0.88 GAA (0.68) GAAGFERMEN1KMT2AJAK2
SCHEMBL17407178 0.80 GAA (0.66) GAAGFERMEN1KMT2A
SCHEMBL16015071 0.80 GAA (0.60) GAAGFERMAPT
SCHEMBL31272020 0.79 GAA (1.00) GAAGFERMEN1KMT2AJAK2
SCHEMBL16014459 0.79 GAA (0.70) GAAGFERMEN1KMT2AJAK2
SCHEMBL18856549 0.79 GAA (0.70) GAAGFERMEN1KMT2AJAK2
SCHEMBL31271749 0.79 GAA (0.70) GAAGFERMEN1KMT2AJAK2
SCHEMBL12845739 0.79 GAA (0.70) GAAGFERMEN1KMT2AJAK2
SCHEMBL17402828 0.79

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885GFER 3631/4885MEN1 4686/4885

“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.