SCHEMBL3287040

SCHEMBL3287040

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC(C)C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APP P05067 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE2A O00408 2/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL13326077 0.94 KCNH3 (0.55) KCNH3CA1CA2CA9L3MBTL1
SCHEMBL13325954 0.81 APP (0.67) KCNH3L3MBTL1SMN1; SMN2APPMAPT
SCHEMBL30092962 0.80 BCHE (0.79) ALDH1A1KDM4EPOLBAPPMAPT
SCHEMBL21567314 0.80 BCHE (0.79) ALDH1A1KDM4EPOLBAPPMAPT
SCHEMBL7239012 0.80 GAA (0.60) CA1CA2CA9L3MBTL1ALDH1A1
SCHEMBL5888965 0.80 PIK3CA (0.62) KDM4ESMN1; SMN2APPMAPTTP53
SCHEMBL23431958 0.80 ALDH1A1 (0.44) KCNH3CA1CA2CA9L3MBTL1
SCHEMBL23431531 0.79 MAPT (0.49) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL20406810 0.79 PDE4A (0.62) APP
SCHEMBL13325955 0.78 PIK3CA (0.51) KCNH3CA1CA2CA9L3MBTL1

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 KCNH3 4016/4885CA1 2368/4885CA2 2122/4885

“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.