SCHEMBL2035595

SCHEMBL2035595

CCOC(=O)Cn1cc(C)c(=O)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPT P10636 5/20 0.50
MITF O75030 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL259703 0.84 ALDH1A1 (0.50) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL2036244 0.79 TSHR (0.34) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL13378910 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL259656 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL14876638 0.77 ALDH1A1 (0.67) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL29612787 0.76 ALDH1A1 (0.54) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL3725949 0.76 ALDH1A1 (0.54) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL260828 0.75 ALDH1A1 (0.42) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL261389 0.75 ALDH1A1 (0.45) ALDH1A1MAPTMITFSMN1; SMN2MEN1
SCHEMBL2036247 0.75 SMN1; SMN2 (0.34) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1

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 8 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
CN-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 CN 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
CN-102448955-A Aminopyrimidine Anticancer Compounds OSI PHARM INC 2012-05-09 CN 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 1117/4885MAPT 2952/4885MITF 2332/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ALDH1A1 1117/4885MAPT 2952/4885MITF 2332/4885

“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.