SCHEMBL2035101

SCHEMBL2035101

CC(C)P(=O)(Cc1ccc([N+](=O)[O-])cc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
AKR1C3 P42330 1/20 0.47
TSHR P16473 1/20 0.46
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
IDO1 P14902 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2033095 0.80 TSHR (0.54) TSHRCYP2C19CYP1A2ACHEMEN1
SCHEMBL2034978 0.79 LOXL2 (0.53) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL5770723 0.78 AKR1C3 (0.47) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL21815480 0.76 AKR1C3 (0.57) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL2038554 0.76 LOXL2 (0.50) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL916699 0.76 AKR1C3 (0.61) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL2030737 0.76 LOXL2 (0.53) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL11040755 0.76 AKR1C3 (0.61) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL11225497 0.75 ALDH1A1 (0.51) LOXL2AKR1C3TSHRCYP2C19CYP1A2
SCHEMBL5206966 0.75 LOXL2 (0.48) LOXL2AKR1C3TSHRCYP2C19CYP1A2

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 LOXL2 2197/4885AKR1C3 4372/4885TSHR 4171/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS LOXL2 2197/4885AKR1C3 4372/4885TSHR 4171/4885

“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.