SCHEMBL2685992

SCHEMBL2685992

N#Cc1ccc2[nH]c(OC(=O)/C=C\C(=O)Oc3[nH]c4ccc(C#N)cc4c3-c3ccc(CN4CCOCC4)cn3)c(-c3ccc(CN4CCOCC4)cn3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.71
CDK1 P06493 2/20 0.71
DYRK3 O43781 1/20 0.71
CDK2 P24941 1/20 0.71
GSK3B P49841 1/20 0.71
CDK5 Q00535 1/20 0.71
CAMK2G Q13555 1/20 0.71
MARK2 Q7KZI7 1/20 0.71
PIM3 Q86V86 1/20 0.71
MINK1 Q8N4C8 1/20 0.71
PRKD2 Q9BZL6 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
SGK2 Q9HBY8 1/20 0.71
STK17A Q9UEE5 1/20 0.71
CAMK2A Q9UQM7 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
CHEK1 O14757 4/20 0.43
CAMKK2 Q96RR4 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 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
SCHEMBL2685878 1.00 CDK7 (0.71) CDK7CDK1DYRK3CDK2GSK3B
SCHEMBL2684440 0.86 CDK7 (0.72) CDK7CDK1DYRK3CDK2GSK3B
SCHEMBL394483 0.85 CDK7 (0.74) CDK7CDK1DYRK3CDK2GSK3B
SCHEMBL395995 0.84 CDK7 (0.63) CDK7CDK1DYRK3CDK2GSK3B
Water SCHEMBL3698216 0.84 CDK7 (0.63) CDK7CDK1DYRK3CDK2GSK3B
SCHEMBL2685064 0.84 CDK7 (0.69) CDK7CDK1DYRK3CDK2GSK3B
Azd-1080 SCHEMBL2685881 0.84 CDK7 (0.86) CDK7CDK1DYRK3CDK2GSK3B
Azd-1080 SCHEMBL2685875 0.84 CDK7 (0.86) CDK7CDK1DYRK3CDK2GSK3B
Azd-1080 SCHEMBL2685991 0.84 CDK7 (0.86) CDK7CDK1DYRK3CDK2GSK3B
Azd-1080 SCHEMBL29361806 0.83 CDK7 (1.00) CDK7CDK1DYRK3CDK2GSK3B

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
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

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 468/4885CDK1 100/4885DYRK3 10/4885
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 2336/4885CDK1 2704/4885DYRK3 715/4885

“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.