SCHEMBL6035809

SCHEMBL6035809

O=C(O)Nc1cnccc1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
GRIN2B Q13224 1/20 0.39
FABP6 P51161 1/20 0.38
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR3 P51677 1/20 0.38
ATR Q13535 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL6035089 0.86 HRH3 (0.45) CCNE2CCNE1CDK2GSK3BMEN1
SCHEMBL6034796 0.84 CHRNA7 (0.42) ALOX15MEN1KMT2AKDM4EALDH1A1
SCHEMBL6035019 0.76 GSK3B (0.61) CCNE2CCNE1CDK2GSK3BIKBKE
SCHEMBL6604898 0.76 CCNE2 (0.45) CACNA1BCCNE2CCNE1CDK2GSK3B
SCHEMBL6033879 0.75 TBK1 (0.50) CCNE2CCNE1CDK2GSK3BPDCD1
SCHEMBL6034128 0.75 KDM4E (0.41) GSK3BCHRNB2CHRNA4KMT2APIM1
SCHEMBL6605909 0.74 CCNE2 (0.47) CCNE2CCNE1CDK2GSK3BIKBKE
SCHEMBL6034958 0.74 KDM4C (0.40) KDM4EKDM4C
SCHEMBL6035358 0.72 CCNE2 (0.42) CCNE2CCNE1CDK2GSK3BCHRNB2
SCHEMBL4709150 0.71 KDM4C (0.40) KDM4C

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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL CACNA1B 2732/4885CCNE2 438/4885CCNE1 386/4885

“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.