SCHEMBL4070139

SCHEMBL4070139

N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCC(N5CCCC5)CC4)cn3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.73
CDK2 P24941 2/20 0.73
DYRK3 O43781 1/20 0.73
GSK3B P49841 1/20 0.73
CDK7 P50613 1/20 0.73
CDK5 Q00535 1/20 0.73
CAMK2G Q13555 1/20 0.73
MARK2 Q7KZI7 1/20 0.73
PIM3 Q86V86 1/20 0.73
MINK1 Q8N4C8 1/20 0.73
PRKD2 Q9BZL6 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
SGK2 Q9HBY8 1/20 0.73
STK17A Q9UEE5 1/20 0.73
CAMK2A Q9UQM7 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
SLC6A4 P31645 2/20 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
Hydrochloric Acid SCHEMBL4062043 0.99 CDK1 (0.71) CDK1CDK2DYRK3GSK3BCDK7
SCHEMBL4016405 0.91 CDK7 (0.83) CDK1CDK2DYRK3GSK3BCDK7
Hydrochloric Acid SCHEMBL4066905 0.90 CDK7 (0.82) CDK1CDK2DYRK3GSK3BCDK7
SCHEMBL4019774 0.90 CDK7 (0.82) CDK1CDK2DYRK3GSK3BCDK7
SCHEMBL4062352 0.89 CDK7 (0.83) CDK1CDK2DYRK3GSK3BCDK7
SCHEMBL4059903 0.88 CDK7 (0.76) CDK1CDK2DYRK3GSK3BCDK7
SCHEMBL4019427 0.84 CDK7 (0.79) CDK1CDK2DYRK3GSK3BCDK7
Azd-1080 SCHEMBL30298327 0.84 CDK7 (1.00) CDK1CDK2DYRK3GSK3BCDK7
Azd-1080 SCHEMBL29361806 0.84 CDK7 (1.00) CDK1CDK2DYRK3GSK3BCDK7
Azd-1080 SCHEMBL29374248 0.84 CDK7 (1.00) CDK1CDK2DYRK3GSK3BCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed

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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 CDK1 263/4885CDK2 245/4885DYRK3 4809/4885

“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.