SCHEMBL3038307

SCHEMBL3038307

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
DGAT1 O75907 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL3040743 0.94 DGAT1 (0.49) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL14158944 0.90 ALDH1A1 (0.57) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL3523655 0.86 TDP1 (0.60) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL1467340 0.85 NAAA (0.56) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL24920365 0.84 ALDH1A1 (0.51) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL17623638 0.84 ESRRG (0.57) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL17623630 0.84 L3MBTL1 (0.57) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL17623598 0.84 ALDH1A1 (0.51) TDP1MEN1GAAKMT2AALDH1A1
SCHEMBL22767691 0.83 TDP1 (0.56) TDP1MEN1GAAKMT2ACA1
SCHEMBL20649129 0.83 NPC1 (0.58) TDP1MEN1GAAKMT2AALDH1A1

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 TDP1 1814/4885MEN1 829/4885GAA 3813/4885

“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.