SCHEMBL2171061

SCHEMBL2171061

Cn1nc2c(c1C(=O)O)COc1ccc(F)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ THRB P10828 2/20 0.45
▸ NR1H4 Q96RI1 6/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3R5 Q8WYR1 1/20 0.36

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
SCHEMBL2171950 0.84 TP53 (0.46) MAPTTHRBNR1H4KDM4EALDH1A1
SCHEMBL2614378 0.82 KDM4E (0.53) MAPTTHRBNR1H4NOTUMKDM4E
SCHEMBL2173369 0.81 NR1H4 (0.53) MAPTTHRBNR1H4NOTUMPOLB
SCHEMBL21574194 0.74 THRB (0.43) MAPTTHRBNR1H4NOTUMKDM4E
SCHEMBL2171176 0.73 MAPT (0.46) MAPTNR1H4PGRNR3C2TP53
SCHEMBL22299813 0.73 MAPT (0.54) MAPTNR1H4KDM4EALDH1A1GAA
SCHEMBL21574265 0.72 THRB (0.43) MAPTTHRBNR1H4KDM4EALDH1A1
SCHEMBL16709831 0.71 TP53 (0.48) MAPTTHRBNR1H4ALDH1A1GAA
SCHEMBL2549040 0.71 TP53 (0.55) MAPTNR1H4KDM4EALDH1A1TP53
SCHEMBL18994755 0.68 NR1H4 (0.81) MAPTNR1H4TP53POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 — — US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 — — US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 — — US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 — — EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 — — WO disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 — — 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 MAPT 2044/4885THRB 244/4885NR1H4 294/4885

“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.

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