SCHEMBL5205286

SCHEMBL5205286

CCOc1cccc([NH])c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.46
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
HCRTR1 O43613 2/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
CYP2A6 P11509 1/20 0.38
GRK6 P43250 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL29366998 0.79 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL28049884 0.79 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL1242347 0.79 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL656675 0.79 ALDH1A1 (0.56) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL17527769 0.78 L3MBTL1 (0.48) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL256772 0.78 L3MBTL1 (0.47) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7930783 0.76 ALDH1A1 (0.52) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL25384973 0.76 L3MBTL1 (0.46) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL11338410 0.76 L3MBTL1 (0.46) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL2883927 0.76 L3MBTL1 (0.51) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP claimed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US claimed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP claimed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP disclosed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US disclosed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases HIPK3, HIPK1, HYPK L3MBTL1 1362/4885TDP1 199/4885CYP1A2 3658/4885

“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.