SCHEMBL691440

SCHEMBL691440

CCn1c(C(C#N)=NO)nc2c(Cl)ncc(Br)c21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL691439 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5597276 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5597279 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5065108 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5065109 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL691782 0.74
SCHEMBL4595462 0.73 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5069172 0.73 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL14031147 0.73
SCHEMBL14030991 0.73 HPGD (0.36) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2286232-B1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2012-02-29 EP disclosed
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG 2011-03-24 US disclosed
EP-2286232-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2011-02-23 EP disclosed
WO-2009138229-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2009-11-19 WO disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (3 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-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS PARP3, PARP11, PARP12 ALDH1A1 1567/4885SMN1; SMN2 4610/4885POLB 169/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885SMN1; SMN2 3299/4885POLB 1321/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA ALDH1A1 2956/4885SMN1; SMN2 3988/4885POLB 896/4885

“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.