SCHEMBL3023628

SCHEMBL3023628

CC(C)(C)OC(=O)N1CCC(CNC=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.48
GLS O94925 2/20 0.46
TGFBR1 P36897 4/20 0.46
RECQL P46063 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
KDM1A O60341 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4719541 0.92 KDM4E (0.48) KDM4EPKMEPHX1HPGDGLS
SCHEMBL5573225 0.89 KDM4E (0.63) KDM4EPKMEPHX1HPGDGLS
SCHEMBL1244714 0.85 KDM4E (0.59) KDM4EPKMEPHX1HPGDGLS
SCHEMBL12065342 0.83 ACKR3 (0.51) EPHX1HPGDGLSKDM1AALDH1A1
SCHEMBL627965 0.83 KDM4E (0.60) KDM4EPKMEPHX1HPGDGLS
SCHEMBL24411175 0.83 KDM4E (0.54) KDM4EPKMEPHX1HPGDGLS
SCHEMBL1238023 0.82 KDM4E (0.56) KDM4EPKMEPHX1HPGDGLS
SCHEMBL18154418 0.82 KDM4E (0.60) KDM4EPKMEPHX1HPGDGLS
SCHEMBL3581788 0.82 KDM4E (0.56) KDM4EPKMEPHX1HPGDGLS
SCHEMBL1576006 0.82 HPGD (0.50) KDM4EPKMEPHX1HPGDGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 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 (1 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF KDM4E 2452/4885PKM 1101/4885EPHX1 1768/4885

“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.