SCHEMBL4883623

SCHEMBL4883623

Cc1c(O)nc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.60
MMP13 P45452 2/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPBWR1 P48145 1/20 0.50
RNASEL Q05823 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
HCRTR1 O43613 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
SCHEMBL13828863 0.84 TNKS (0.57) GUSBMMP13MMP2MMP9MMP8
SCHEMBL1264068 0.80 MAPT (0.58) GUSBMMP13MMP2MMP9MMP8
SCHEMBL11917092 0.79 GUSB (0.66) GUSBMMP13MMP2MMP9MMP8
SCHEMBL11917093 0.78 GUSB (0.72) GUSBMMP13MMP2MMP9MMP8
SCHEMBL4606203 0.77 MMP13 (0.62) GUSBMMP13MMP2MMP9MMP8
SCHEMBL11917075 0.77 GUSB (0.74) GUSBMMP13MMP2MMP9MMP8
SCHEMBL259489 0.77 GUSB (0.74) GUSBMMP13MMP2MMP9MMP8
SCHEMBL873782 0.75 GUSB (1.00) GUSBMMP13MMP2MMP9MMP8
SCHEMBL874285 0.74 GUSB (0.62) GUSBMMP13MMP2MMP9MMP8
SCHEMBL28761269 0.73 RAB9A (0.80) GUSBMMP13MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1768978-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-04 EP disclosed
WO-2006005914-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB GUSB 4804/4885MMP13 4482/4885MMP2 3329/4885

“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.