SCHEMBL2637258

SCHEMBL2637258

COc1cc(CP(=O)(O)O)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL2637257 1.00 GRM8 (0.40) GRM8GRM4PGK1PGK2PKM
SCHEMBL2034114 0.83 CCNT1 (0.35) GRM8GRM4PKMKDM4ETDP1
SCHEMBL2036985 0.82 TTR (0.45) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL31285704 0.81 PTGS2 (0.46) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL2031894 0.80 KDM4E (0.42) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL2432659 0.79 ALDH1A1 (0.47) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL4198067 0.78 GRM8 (0.40) GRM8GRM4PGK1PGK2TDP1
SCHEMBL4198069 0.78 GRM8 (0.40) GRM8GRM4PGK1PGK2TDP1
SCHEMBL2636963 0.77 PGK1 (0.43) PGK1PGK2CYP3A4ALDH1A1PTPRB
SCHEMBL2636912 0.74 ALDH1A1 (0.46) GRM8GRM4TDP1L3MBTL1MAPT

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
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS GRM8 3594/4885GRM4 3327/4885PGK1 240/4885

“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.