SCHEMBL3929759

SCHEMBL3929759

O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)CCOC(F)F)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ATR Q13535 17/20 0.51
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL3936351 0.88 ATR (0.54) ATRPIK3CAMTOR
SCHEMBL3926393 0.86 KMT2A (0.58) KMT2AMEN1ATRAPAF1NSD2
SCHEMBL8099689 0.86 ATR (0.52) ATRPIK3CAMTOR
SCHEMBL27815408 0.84 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL4200783 0.83 MTOR (0.48) KMT2AMEN1ATRPIK3CAMTOR
SCHEMBL4202630 0.79 ATR (0.51) ATRGAAMAPTPIK3CAMTOR
SCHEMBL3728412 0.75 KMT2A (0.83) KMT2AMEN1APAF1NSD2LMNA
SCHEMBL3926730 0.73 ATR (0.60) ATRPIK3CAMTOR
SCHEMBL4202448 0.72 MTOR (0.55) KMT2AMEN1ATRPIK3CAMTOR
SCHEMBL8101567 0.72 ATR (0.57) ATRPIK3CAMTOR

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
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 KMT2A 2445/4885MEN1 1362/4885ATR 1185/4885

“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.