SCHEMBL3040743

SCHEMBL3040743

CC(C)(C)OC(=O)NCCNC(=O)c1cc[c]cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
EGFR P00533 1/20 0.46
BCHE P06276 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CD274 Q9NZQ7 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
GABRA5 P31644 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 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
SCHEMBL3038307 0.94 TDP1 (0.49) DGAT1EGFRTDP1CA12CA1
SCHEMBL1754810 0.84 POLB (0.58) DGAT1BCHEMALT1GAAIDO1
SCHEMBL5896700 0.83 DGAT1 (0.53) DGAT1EGFRMALT1TDP1CD274
SCHEMBL5664574 0.83 DGAT1 (0.50) DGAT1EGFRBCHEMALT1TDP1
SCHEMBL12093593 0.83 POLB (0.61) DGAT1EGFRTDP1KMT2AALDH1A1
SCHEMBL751293 0.83 ESRRG (0.55) DGAT1EGFRMALT1TDP1CD274
SCHEMBL21410160 0.83 PRMT5 (0.43) DGAT1ALDH1A1
SCHEMBL3111422 0.83 PTPRC (0.43) DGAT1TDP1ALDH1A1LMNAPOLB
SCHEMBL3523655 0.83 TDP1 (0.60) TDP1CA12CA1CA2CA9
SCHEMBL14158944 0.83 ALDH1A1 (0.57) DGAT1EGFRTDP1CA12CA1

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 2 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 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 DGAT1 4669/4885EGFR 540/4885BCHE 2503/4885

“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.