SCHEMBL2685064

SCHEMBL2685064

CS(=O)(=O)Oc1[nH]c2ccc(C#N)cc2c1-c1ccc(CN2CCOCC2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.69
DYRK3 O43781 1/20 0.69
CDK1 P06493 1/20 0.69
CDK2 P24941 1/20 0.69
GSK3B P49841 1/20 0.69
CDK5 Q00535 1/20 0.69
CAMK2G Q13555 1/20 0.69
MARK2 Q7KZI7 1/20 0.69
PIM3 Q86V86 1/20 0.69
MINK1 Q8N4C8 1/20 0.69
PRKD2 Q9BZL6 1/20 0.69
CLK4 Q9HAZ1 1/20 0.69
SGK2 Q9HBY8 1/20 0.69
STK17A Q9UEE5 1/20 0.69
CAMK2A Q9UQM7 1/20 0.69
DYRK1B Q9Y463 1/20 0.69
CHEK1 O14757 3/20 0.44
CAMKK2 Q96RR4 1/20 0.41
ACHE P22303 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL394483 0.88 CDK7 (0.74) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL2685061 0.85 CDK7 (0.88) CDK7DYRK3CDK1CDK2GSK3B
SCHEMBL2684440 0.85 CDK7 (0.72) CDK7DYRK3CDK1CDK2GSK3B
SCHEMBL2685878 0.84 CDK7 (0.71) CDK7DYRK3CDK1CDK2GSK3B
SCHEMBL2685992 0.84 CDK7 (0.71) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL30298327 0.82 CDK7 (1.00) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL29374248 0.82 CDK7 (1.00) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL394519 0.82 CDK7 (1.00) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL29361806 0.82 CDK7 (1.00) CDK7DYRK3CDK1CDK2GSK3B
Azd-1080 SCHEMBL3701569 0.82 CDK7 (1.00) CDK7DYRK3CDK1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115865-A1 New Salts of an Indole Derivative and Their Use in Medicine ASTRAZENECA AB (SE) 2012-05-10 US claimed
US-20090221576-A1 Pharmaceutical Use of 2-Hydroxy-3-[5-(Morpholin-4-Ylmethyl) Pyridin-2-YL]-1H-IN-Dole-5-Carbonitrile as a Free Base or Salts ASTRAZENECA AB GLOBAL INTELLECTUAL PROPERTY (SE) 2009-09-03 US claimed
US-20120115865-A1 New Salts of an Indole Derivative and Their Use in Medicine ASTRAZENECA AB (SE) 2012-05-10 US disclosed
US-20090221576-A1 Pharmaceutical Use of 2-Hydroxy-3-[5-(Morpholin-4-Ylmethyl) Pyridin-2-YL]-1H-IN-Dole-5-Carbonitrile as a Free Base or Salts ASTRAZENECA AB GLOBAL INTELLECTUAL PROPERTY (SE) 2009-09-03 US disclosed
EP-1991539-A1 NEW SALTS OF AN INDOLE DERIVATIVE AND THEIR USE IN MEDICINE AstraZeneca AB (SE) 2008-11-19 EP disclosed
EP-1981500-A1 PHARMACEUTICAL USE OF 2-HYDROXY-3- [5-(MORPHOLIN-4-YLMETHYL) PYRIDINE-2-YL]-1H- INDOLE-5-CARBONITRILE AS A FREE BASE OR SALTS AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007100282-A1 NEW SALTS OF AN INDOLE DERIVATIVE AND THEIR USE IN MEDICINE ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007089192-A1 PHARMACEUTICAL USE OF 2-HYDROXY-3- [5- (MORPHOLIN-4- YLMETHYL) PYRIDINE-2-YL] -1H- INDOLE-5-CARBONITRILE AS A FREE BASE OR SALTS ASTRAZENECA AB (SE) 2007-08-09 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 (2 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-20120115865-A1 New Salts of an Indole Derivative and Their Use in Medicine GSK3B, GSK3A, GSKIP CDK7 468/4885DYRK3 10/4885CDK1 100/4885
US-20090221576-A1 Pharmaceutical Use of 2-Hydroxy-3-[5-(Morpholin-4-Ylmethyl) Pyridin-2-YL]-1H-IN-Dole-5-Carbonitrile as a Free Base or Salts UTRN, PNN, PPIP5K2 CDK7 2336/4885DYRK3 715/4885CDK1 2704/4885

“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.