SCHEMBL2033097

SCHEMBL2033097

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.50
PYCR1 P32322 1/20 0.50
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
ACHE P22303 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.45

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 0.83 TSHR (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL4923172 0.81 TSHR (0.56) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL479034 0.80 CCNT1 (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL2637757 0.80 TSHR (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL2637758 0.80 TSHR (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL2038554 0.80 LOXL2 (0.50) CYP1A2CYP2C19TSHRPYCR1ACHE
SCHEMBL2033095 0.79 TSHR (0.54) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL132216 0.79 TSHR (0.67) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL29385659 0.79 TSHR (0.67) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL4923182 0.79 GRM8 (0.51) CYP1A2CYP2C19CYP2D6CYP2C9TSHR

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 CYP1A2 3957/4885CYP2C19 2821/4885CYP2D6 2142/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CYP1A2 3957/4885CYP2C19 2821/4885CYP2D6 2142/4885

“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.