SCHEMBL2033958

SCHEMBL2033958

COc1cc(CO)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 8/20 0.43
GAA P10253 3/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5208919 0.94 TTR (0.45) TTRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13557414 0.85 SMN1; SMN2 (0.49) TTRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2033540 0.84 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL2636979 0.82 GAA (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL2636980 0.82 GAA (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL517768 0.81 ALDH1A1 (0.50) TTRALDH1A1HTTCYP3A4L3MBTL1
SCHEMBL29661436 0.81 ALDH1A1 (0.50) TTRALDH1A1HTTCYP3A4L3MBTL1
SCHEMBL2589897 0.81 ALDH1A1 (0.48) TTRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4302356 0.81 GAA (0.45) TTRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29785305 0.81 ALDH1A1 (0.43) ALDH1A1GAAHTTPKMMEN1

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
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
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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 (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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TTR 3151/4885SMN1; SMN2 1215/4885NPC1 3951/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TTR 3151/4885SMN1; SMN2 1215/4885NPC1 3951/4885

“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.