SCHEMBL411951

SCHEMBL411951

Nc1ncc(Br)nc1C(=O)Nc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.75
PRKCI P41743 1/20 0.71
CYP3A4 P08684 1/20 0.64
GRM5 P41594 1/20 0.62
CCNE2 O96020 2/20 0.61
CCNE1 P24864 2/20 0.61
CDK2 P24941 2/20 0.61
GSK3B P49841 2/20 0.61
HDAC6 Q9UBN7 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PRKDC P78527 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55

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
SCHEMBL559881 0.86 ATR (1.00) ATRCYP3A4GRM5PRKDC
SCHEMBL12518638 0.85 PRKCI (0.69) ATRPRKCICYP3A4CCNE2CCNE1
SCHEMBL14059993 0.85 ATR (0.76) ATRPRKCICYP3A4GRM5PRKDC
SCHEMBL31387927 0.85 ATR (0.76) ATRPRKCICYP3A4GRM5PRKDC
SCHEMBL15724439 0.82 ATR (0.68) ATRPRKCICYP3A4GRM5PRKDC
SCHEMBL6615544 0.82 ATR (0.88) ATRCYP3A4CCNE2CCNE1CDK2
SCHEMBL6616649 0.81 HDAC6 (0.60) ATRPRKCICYP3A4CCNE2CCNE1
SCHEMBL6616616 0.80 ATR (0.78) ATRCYP3A4CCNE2CCNE1CDK2
SCHEMBL560472 0.80 ATR (0.69) ATRPRKCICYP3A4CCNE2CCNE1
Hydrochloric Acid SCHEMBL6617983 0.79 ATR (0.77) ATRCYP3A4CCNE2CCNE1CDK2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4674088-B2 2011-04-20 JP claimed
EP-2161265-A2 Compounds having selective inhibiting effect at GSK3 Astra Zeneca AB (SE) 2010-03-10 EP claimed
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-08-03 US claimed
US-20060116362-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-06-01 US claimed
JP-2006513180-A 2006-04-20 JP claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1575939-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
EP-1575938-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
CN-1551869-A Novel compound 2004-12-01 CN claimed
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 ASTRAZENECA AB (SE) 2004-09-23 US claimed
WO-2004055005-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed
WO-2004055006-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
WO-2003004475-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
CN-113248473-B Preparation and medical application of targeted GSK3 alpha/beta degradation agent 中国药科大学 2022-02-18 CN disclosed
CN-113248473-A Preparation and medical application of targeted GSK3 alpha/beta degradation agent 中国药科大学 2021-08-13 CN disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO 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 (4 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-20060116362-A1 Nobel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, CSNK1A1L ATR 2350/4885PRKCI 406/4885CYP3A4 1112/4885
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ATR 1381/4885PRKCI 851/4885CYP3A4 1187/4885
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, GSKIP ATR 721/4885PRKCI 128/4885CYP3A4 2552/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ATR 1626/4885PRKCI 790/4885CYP3A4 1063/4885

“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.