SCHEMBL2033068

SCHEMBL2033068

COc1cc(C(CCO)(CCO)P(=O)(O)O)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ APP P05067 3/20 0.35
▸ MET P08581 4/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADRA2B P18089 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL2029520 0.89 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL2029811 0.86 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL2030686 0.82 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL2032496 0.79 CHEK1 (0.41) ALDH1A1TDP1CYP3A4LMNAL3MBTL1
SCHEMBL2030322 0.73 ALDH1A1 (0.49) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL13523944 0.69 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL8136159 0.68 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL31363823 0.68 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL1143325 0.68 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL11762482 0.68 LMNA (0.36) ALDH1A1LMNAL3MBTL1

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 ALDH1A1 1117/4885TDP1 472/4885CYP3A4 3332/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ALDH1A1 1117/4885TDP1 472/4885CYP3A4 3332/4885

“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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