SCHEMBL13926127

SCHEMBL13926127

CCCCc1c(-c2ccc(C)cc2)[nH]c2nccnc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 19/20 0.80
▸ GSK3B P49841 19/20 0.80
▸ CDK1 P06493 18/20 0.80
▸ CCNB2 O95067 17/20 0.80
▸ CCNB1 P14635 17/20 0.80
▸ CCNB3 Q8WWL7 17/20 0.80
▸ CDK5 Q00535 11/20 0.80
▸ CDK5R1 Q15078 10/20 0.80
▸ CDK2 P24941 3/20 0.80
▸ MAPK8 P45983 3/20 0.80
▸ CCNE1 P24864 2/20 0.80
▸ CCNE2 O96020 1/20 0.80
▸ INSR P06213 1/20 0.80
▸ CFTR P13569 1/20 0.80
▸ CCNA2 P20248 1/20 0.80
▸ MAPK3 P27361 1/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ MAPK9 P45984 1/20 0.80
▸ MAPK10 P53779 1/20 0.80
▸ CCNA1 P78396 1/20 0.80

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
SCHEMBL490878 0.89 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
Aloisine A SCHEMBL80147 0.89 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
Aloisine SCHEMBL79714 0.87 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL491260 0.82 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
Bromide SCHEMBL490395 0.79 GSK3A (0.97) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL6852911 0.77 GSK3A (0.67) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL490953 0.76 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1778992 0.75 GSK3A (0.62) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1778282 0.75 GSK3A (0.58) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777265 0.72 GSK3A (0.56) GSK3AGSK3BCDK1CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048260-A1 Use of pyrrolopyrazine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells UNIVERSITE DE POITIERS (FR) 2009-02-19 — — 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-20090048260-A1 Use of pyrrolopyrazine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells HRH2, HRH1, HRH4 GSK3A 4507/4885GSK3B 4503/4885CDK1 1649/4885

“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.

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