SCHEMBL3082291

SCHEMBL3082291

CCOC(=O)c1nc2ccccn2c1-c1ccc(N(C)CCN(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPK1 P28482 2/20 0.46
NTRK1 P04629 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 7/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP7 Q93009 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PDE4A P27815 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3087167 0.90 PTGS1 (0.52) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3076322 0.82 PTGS1 (0.54) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3082199 0.79 PTGS1 (0.51) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL10679185 0.79 CYP2C9 (0.65) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3083908 0.79 USP7 (0.41) SMN1; SMN2KDM4EUSP7HTT
SCHEMBL3083307 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EUSP7MAPT
SCHEMBL3076680 0.78 PTGS1 (0.49) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3072062 0.77 PTGS1 (0.56) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3080436 0.76 PTGS1 (0.48) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2
SCHEMBL3080749 0.76 PTGS1 (0.59) PTGS1PTGS2MAPK1NTRK1SMN1; SMN2

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-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 PTGS1 504/4885PTGS2 842/4885MAPK1 2628/4885

“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.