SCHEMBL2637396

SCHEMBL2637396

CC(C)(c1ccc(N)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
ESRRG P62508 1/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 2/20 0.37
PTPN5 P54829 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15187676 0.83 FDPS (0.47) FDPSESRRGPGK1PGK2EPHX2
SCHEMBL9502470 0.82 PTPN5 (0.50) PGK1PGK2PTPN5PTPN2PTPN1
SCHEMBL8999640 0.80 ESR1 (0.52) ESRRGPGK1PGK2ALDH1A1HPGD
SCHEMBL11759829 0.80 TSHR (0.48) PGK1PGK2MAPTNPC1RAB9A
SCHEMBL17923871 0.78 PGK1 (0.46) PGK1PGK2MAPTNPC1RAB9A
SCHEMBL1099732 0.77 PTPN1 (0.58) FDPSPGK1PGK2MAPTALDH1A1
SCHEMBL15530841 0.76 FDPS (0.42) FDPSESRRGPGK1PGK2EPHX2
SCHEMBL4088833 0.76 FDPS (0.48) FDPSPGK1PGK2MAPTNPC1
SCHEMBL4094823 0.76 FDPS (0.53) FDPSPGK1PGK2MAPTRAB9A
Water SCHEMBL5163400 0.74 FDPS (0.52) FDPSPGK1PGK2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
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
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
WO-2007011567-A1 COATING AGENT AND METAL MASK 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-25 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 FDPS 1145/4885ESRRG 3723/4885PGK1 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.