SCHEMBL2641429

SCHEMBL2641429

COc1ccc2[nH]c(=O)c(N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 5/20 0.62
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
EPHA2 P29317 1/20 0.52
FLT3 P36888 1/20 0.52
FRK P42685 1/20 0.52
CLK2 P49760 1/20 0.52
LIMK1 P53667 1/20 0.52

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
SCHEMBL31179012 0.83 CSF1R (0.69) MAPK1GSK3AGSK3BROCK2MAP4K4
SCHEMBL2640045 0.83 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL13035857 0.78 MAPK1 (0.53) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL29612323 0.77 CSF1R (0.70) ALDH1A1HPGDKDM4EMAPK1LMNA
SCHEMBL19952949 0.77 CSF1R (0.70) ALDH1A1HPGDKDM4EMAPK1LMNA
SCHEMBL13232473 0.77 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL16814291 0.75 GSK3A (0.54) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL16814560 0.73 GSK3B (0.54) MAPK1LMNAGSK3AGSK3BROCK2
SCHEMBL15332362 0.72 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL6296013 0.72 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMAPK1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794445-B2 2011-10-19 JP claimed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US claimed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667973-B1 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2006032470-A1 COMPOUNDS WHICH INCREASE APOLIPOPROTEIN A-1 PRODUCTION AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-03-30 WO disclosed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20070078154-A1 Quinoline potassium channel inhibitors KCNQ2, KCNQ1, KCNJ2 ALDH1A1 2376/4885HPGD 2606/4885KDM4E 642/4885

“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.