SCHEMBL3034757

SCHEMBL3034757

COCCC(=O)NC(C)c1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ACACB O00763 4/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
BRAF P15056 3/20 0.43
ACACA Q13085 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL3031249 1.00 GAA (0.48) GAAACACBMAPTALDH1A1HPGD
SCHEMBL3039940 1.00 GAA (0.48) GAAACACBMAPTALDH1A1HPGD
SCHEMBL23135445 0.84 MAPT (0.65) GAAMAPTALDH1A1HPGDKMT2A
SCHEMBL2181162 0.82 ALDH1A1 (0.60) GAAACACBMAPTALDH1A1HPGD
SCHEMBL2179926 0.82 ALDH1A1 (0.60) GAAACACBMAPTALDH1A1HPGD
SCHEMBL5133150 0.75 GAA (0.42) GAAACACBMAPTALDH1A1HPGD
SCHEMBL3041672 0.74 L3MBTL1 (0.47) MAPTALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL3031007 0.73 ACACB (0.49) ACACBACACA
SCHEMBL3035562 0.73 ACACB (0.49) ACACBACACA
SCHEMBL316529 0.73 ACACB (0.49) ACACBACACA

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 GAA 3813/4885ACACB 3667/4885MAPT 4079/4885

“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.