SCHEMBL3290227

SCHEMBL3290227

CCOc1ccc(Nc2nc(NCc3ccc(OC)cc3)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
GALR2 O43603 3/20 0.51
GALR1 P47211 3/20 0.51
MERTK Q12866 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSB P07858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BLM P54132 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3289389 0.94 CTSL (0.68) CTSLCTSSCTSKGALR2GALR1
SCHEMBL13359703 0.92 CTSS (0.59) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3287006 0.88 CTSL (0.61) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3289272 0.88 CTSL (0.57) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3287378 0.87 CTSS (0.56) CTSLCTSSCTSKGALR2GALR1
SCHEMBL13325957 0.85 CTSS (0.54) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3290340 0.84 CTSL (0.57) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3291713 0.83 GALR2 (0.67) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3287809 0.82 CTSL (0.54) CTSLCTSSCTSKGALR2GALR1
SCHEMBL13326000 0.82 RAB9A (0.70) CTSLCTSSCTSKMEN1KMT2A

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-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2004-06-24 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-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity TUBA1C, TUBB1, TUBB CTSL 1884/4885CTSS 1901/4885CTSK 2723/4885

“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.