SCHEMBL2036244

SCHEMBL2036244

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
PLA2G2A P14555 1/20 0.31
DCTPP1 Q9H773 1/20 0.31

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
Hydrochloric Acid SCHEMBL2034172 0.81
SCHEMBL2036247 0.80 SMN1; SMN2 (0.34) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL2035595 0.79 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2032651 0.73 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL8531620 0.72 MEN1 (0.47) ALDH1A1LMNAMAPTCNR2POLB
SCHEMBL642548 0.66 ALDH1A1 (0.49) TSHRALDH1A1TDP1LMNAMAPT
SCHEMBL3686573 0.64 TDP1 (0.40) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL8531617 0.63 NR4A2 (0.37) ALDH1A1LMNAMAPTPOLBL3MBTL1
SCHEMBL2696134 0.63 MAPT (0.42) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL259703 0.63 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1LMNAMAPT

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 TSHR 4171/4885SMN1; SMN2 1215/4885ALDH1A1 1117/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885SMN1; SMN2 1215/4885ALDH1A1 1117/4885

“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.