SCHEMBL2033095

SCHEMBL2033095

CC(C)P(=O)(Cc1cccc([N+](=O)[O-])c1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
GLA P06280 1/20 0.54
GRM8 O00222 1/20 0.51
GRM6 O15303 1/20 0.51
GRM4 Q14833 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 2/20 0.48
RECQL P46063 1/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
PYCR1 P32322 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2036257 0.82 TSHR (0.59) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL2032607 0.81 TSHR (0.50) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL2035101 0.80 LOXL2 (0.48) TSHRALDH1A1KDM4ELMNACYP2C19
SCHEMBL2033097 0.79 CYP1A2 (0.56) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL4923172 0.79 TSHR (0.56) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL2637757 0.79 TSHR (0.59) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL2637758 0.79 TSHR (0.59) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL4600404 0.77 TSHR (0.61) TSHRALDH1A1KDM4ETDP1LMNA
SCHEMBL479034 0.76 CCNT1 (0.59) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL6674437 0.76 TSHR (0.59) TSHRALDH1A1KDM4ETDP1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
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 4171/4885GLA 3806/4885GRM8 3594/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885GLA 3806/4885GRM8 3594/4885

“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.