SCHEMBL6889089

SCHEMBL6889089

O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3nc(C4(O)CCC4)[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
PIK3CA P42336 7/20 0.38
PIK3CG P48736 4/20 0.38
MTOR P42345 3/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
SRC P12931 1/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
GALK1 P51570 1/20 0.37

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
SCHEMBL6889566 0.74 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL31549907 0.69 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13828865 0.69 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL6899031 0.68 PDE10A (0.41) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16912784 0.68 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPK1ABCG2
SCHEMBL3728412 0.68 KMT2A (0.83) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3770156 0.68 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL13828966 0.67 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL2160965 0.67 MTOR (0.60) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL2709515 0.67 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPK1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B KMT2A 3059/4885MEN1 1776/4885ALDH1A1 308/4885

“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.