SCHEMBL1264068

SCHEMBL1264068

O=c1cc(O)nc(-c2cccc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GUSB P08236 1/20 0.57
MMP13 P45452 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
LMNA P02545 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
HCRTR1 O43613 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL13153215 0.84 NPC1 (0.55) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4883623 0.80 GUSB (0.60) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28761269 0.76 RAB9A (0.80) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL31398155 0.75 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL11472075 0.75 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL259489 0.75 GUSB (0.74) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4606203 0.74 MMP13 (0.62) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3336091 0.73 RAB9A (0.80) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL31357765 0.73 RAB9A (1.00) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL9493590 0.73 ALOX5 (0.47) MAPTMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893063-B2 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA UK LIMITED (GB) 2009-06-04 US disclosed
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
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-1773824-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-18 EP 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-2006005915-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
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 (2 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 MAPT 3363/4885MEN1 2387/4885KMT2A 2088/4885
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, PIK3CB, TYMP MAPT 3930/4885MEN1 2941/4885KMT2A 1852/4885

“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.