SCHEMBL396747

SCHEMBL396747

CCOc1[nH]c2ccccc2c1-c1ccc(CN2CCOCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.50
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50
CDK7 P50613 1/20 0.50
CDK5 Q00535 1/20 0.50
CAMK2G Q13555 1/20 0.50
MARK2 Q7KZI7 1/20 0.50
PIM3 Q86V86 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
SGK2 Q9HBY8 1/20 0.50
STK17A Q9UEE5 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
PARP1 P09874 2/20 0.48
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 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 0.84 CDK7 (0.74) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4558231 0.83 CDK2 (0.70) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL2685064 0.71 CDK7 (0.69) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL477976 0.70 CDK2 (0.59) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL477994 0.70 DYRK3 (0.64) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL2684440 0.69 CDK7 (0.72) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4064506 0.69 CDK1 (0.65) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL10079716 0.69 CDK7 (0.74) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4069900 0.69 CDK1 (0.74) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL3190852 0.68 CDK7 (0.66) DYRK3CDK1CDK2GSK3BCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101750-B2 Process for the manufacturing of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile 701 ASTRAZENECA AB (SE) 2012-01-24 US disclosed
US-20100286392-A1 PROCESS FOR THE MANUFACTURING OF THE COMPOUND 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701 ASTRAZENECA AB (SE) 2010-11-11 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 (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-20100286392-A1 PROCESS FOR THE MANUFACTURING OF THE COMPOUND 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701 IDO1, IDO2, HCN2 DYRK3 1886/4885CDK1 1427/4885CDK2 1644/4885

“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.