SCHEMBL3076322

SCHEMBL3076322

CCOC(=O)c1nc2ccccn2c1-c1ccc(F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NTRK1 P04629 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 5/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL3087167 0.85 PTGS1 (0.52) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3076063 0.84 PTGS1 (0.53) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL10679185 0.84 CYP2C9 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3076680 0.83 PTGS1 (0.49) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3072062 0.82 PTGS1 (0.56) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3082291 0.82 PTGS1 (0.48) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3080436 0.81 PTGS1 (0.48) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3080749 0.81 PTGS1 (0.59) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3090574 0.80 KDM4E (0.48) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3089373 0.76 MCHR1 (0.45) PTGS1PTGS2NTRK1ALDH1A1TSHR

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.