SCHEMBL1028353

SCHEMBL1028353

O=[N+]([O-])CC(O)c1ccnc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
RECQL P46063 1/20 0.32
TDO2 P48775 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SERPINH1 P50454 1/20 0.31
CTSA P10619 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL9648909 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31639294 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9648801 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPT
SCHEMBL25356422 0.76 LOXL2 (0.50) LOXL2KDM4EMAPTMEN1KMT2A
SCHEMBL11947918 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3133992 0.76 LOXL2 (0.36) ALDH1A1LOXL2KDM4EMAPTMEN1
SCHEMBL28055433 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL528891 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL6782597 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3240856 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
CN-101765597-A Pyrimidine derivatives as inhibitors of phosphatidylinositol-3-kinase HOFFMANN LA ROCHE 2010-06-30 CN disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 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-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD ALDH1A1 2499/4885LOXL2 4609/4885KDM4E 2136/4885

“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.