SCHEMBL6616616

SCHEMBL6616616

Nc1ncc(-c2ccc(O)cc2)nc1C(=O)Nc1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.78
PRKDC P78527 3/20 0.78
ATM Q13315 1/20 0.78
GSK3B P49841 9/20 0.77
CCNE2 O96020 8/20 0.77
CCNE1 P24864 8/20 0.77
CDK2 P24941 8/20 0.77
CYP3A4 P08684 1/20 0.73
GSK3A P49840 1/20 0.64

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 SCHEMBL6617983 0.99 ATR (0.77) ATRPRKDCATMGSK3BCCNE2
SCHEMBL6615544 0.91 ATR (0.88) ATRPRKDCATMGSK3BCCNE2
SCHEMBL6620408 0.90 ATR (0.79) ATRPRKDCGSK3BCCNE2CCNE1
SCHEMBL6619968 0.90 ATR (0.81) ATRPRKDCGSK3BCCNE2CCNE1
SCHEMBL3162088 0.89 ATR (0.81) ATRPRKDCATMGSK3BCCNE2
SCHEMBL6616717 0.89 ATR (0.82) ATRPRKDCATMGSK3BCCNE2
SCHEMBL18177423 0.88 ATR (1.00) ATRPRKDCATMCYP3A4
SCHEMBL2226141 0.88 GSK3B (0.72) ATRPRKDCGSK3BCCNE2CCNE1
SCHEMBL9907070 0.88 ATR (0.80) ATRPRKDCGSK3BCCNE2CCNE1
SCHEMBL2226149 0.87 GSK3B (0.71) ATRPRKDCGSK3BCCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 ASTRAZENECA AB (SE) 2004-09-23 US claimed
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 EP claimed
WO-2003004475-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 EP disclosed
WO-2003004475-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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 (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-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ATR 1381/4885PRKDC 897/4885ATM 1538/4885

“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.