SCHEMBL5083050

SCHEMBL5083050

O=C(NCc1ccc(F)cc1)c1cncnc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
CXCR4 P61073 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 4/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK14 Q16539 1/20 0.56
ROCK2 O75116 1/20 0.53
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.50
STAMBP O95630 1/20 0.50
COPS5 Q92905 1/20 0.50

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
SCHEMBL5213879 0.87 L3MBTL1 (0.69) L3MBTL1CXCR4SMN1; SMN2LMNACYP3A4
SCHEMBL5083115 0.84 TSHR (0.71) CXCR4SMN1; SMN2LMNACYP3A4MAPK14
SCHEMBL5077115 0.83 HPGDS (0.67) L3MBTL1SMN1; SMN2LMNAROCK2
SCHEMBL5079750 0.83 CXCR4 (0.58) L3MBTL1CXCR4SMN1; SMN2ROCK2TSHR
SCHEMBL6077802 0.83 L3MBTL1 (0.77) L3MBTL1CXCR4SMN1; SMN2LMNACYP3A4
SCHEMBL5078937 0.83 EPHX2 (0.60) L3MBTL1CXCR4SMN1; SMN2MAPK14ROCK2
SCHEMBL1569192 0.82 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2LMNACYP3A4MAPK14
SCHEMBL20804634 0.81 L3MBTL1 (0.70) L3MBTL1CXCR4SMN1; SMN2LMNACYP3A4
SCHEMBL12191062 0.81 HDAC1 (0.67) L3MBTL1SMN1; SMN2STAMBPCOPS5
SCHEMBL31095752 0.80 CXCR4 (1.00) L3MBTL1CXCR4SMN1; SMN2ROCK2KMT2A

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
CN-101627019-B Bicyclic pyrimidinones and uses thereof AVEXA LTD 2013-07-10 CN disclosed
CN-101880280-A Bicyclic pyrimidinones and uses thereof SHANGHAI INST ORGANIC CHEM 2010-11-10 CN disclosed
CN-101627019-A Bicyclic pyrimidinones and uses thereof AVEXA LTD 2010-01-13 CN disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A L3MBTL1 4731/4885CXCR4 72/4885SMN1; SMN2 3540/4885

“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.