SCHEMBL3034267

SCHEMBL3034267

CC(C)(C)OC(=O)NCCCN[C]=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6850056 0.95 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3036970 0.89 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.87 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3910909 0.85 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL23259279 0.84 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL6005057 0.83 EPHX1 (0.55) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3020258 0.82 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557057 0.81 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL14242963 0.81 TDP1 (0.72) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22755542 0.81 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA

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
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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 (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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF TDP1 1814/4885MEN1 829/4885GAA 3813/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TDP1 2211/4885MEN1 218/4885GAA 1418/4885

“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.