SCHEMBL2032496

SCHEMBL2032496

COc1cc(C(CCO)(CCO)P(=O)(O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ GRM8 O00222 1/20 0.35
▸ GRM4 Q14833 1/20 0.35

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
SCHEMBL2029333 0.90 ALDH1A1 (0.40) CHEK1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2032819 0.87 ALDH1A1 (0.42) CHEK1ALDH1A1LMNATDP1SIRT6
SCHEMBL2030329 0.84 ALDH1A1 (0.40) CHEK1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2033068 0.79 ALDH1A1 (0.41) ALDH1A1LMNATDP1L3MBTL1CYP3A4
SCHEMBL2034209 0.79 PGK1 (0.45) CHEK1ALDH1A1LMNATDP1SIRT6
SCHEMBL31363986 0.73 ALDH1A1 (0.53) CHEK1ALDH1A1LMNATDP1SIRT6
SCHEMBL4241671 0.73 ALDH1A1 (0.53) CHEK1ALDH1A1LMNATDP1SIRT6
SCHEMBL23144086 0.72 ALDH1A1 (0.51) ALDH1A1LMNATDP1SMN1; SMN2SIRT6
SCHEMBL29811691 0.72 ALDH1A1 (0.51) ALDH1A1LMNATDP1SMN1; SMN2SIRT6
SCHEMBL9798929 0.72 CYP3A4 (0.42) ALDH1A1LMNATDP1POLBMAPT

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 CHEK1 26/4885ALDH1A1 1117/4885LMNA 4131/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CHEK1 26/4885ALDH1A1 1117/4885LMNA 4131/4885

“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.

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