SCHEMBL6293526

SCHEMBL6293526

CN1CCC(C2=C(C#N)C(c3ccccc3Br)c3c[nH]nc3N2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
CDK1 P06493 1/20 0.37
MARK3 P27448 1/20 0.37
AXL P30530 1/20 0.37
CLK2 P49760 1/20 0.37
CDK5 Q00535 1/20 0.37
MARK2 Q7KZI7 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1F P30939 1/20 0.30

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
SCHEMBL6293475 0.91 GSK3B (0.39) GSK3BCDK1MARK3AXLCLK2
SCHEMBL6292207 0.89 GSK3B (0.46) GSK3BKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8344138 0.89 GSK3B (0.46) GSK3BKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6219901 0.88 GSK3B (0.45) GSK3BCLK2MARK2SLKKDM4E
SCHEMBL6293501 0.88 GSK3B (0.45) GSK3BCDK1MARK3CLK2CDK5
SCHEMBL6292125 0.87 GSK3B (0.45) GSK3B
SCHEMBL6292543 0.87 ALDH1A1 (0.48) GSK3BKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6296908 0.87 GSK3B (0.43) GSK3BKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6296527 0.87 GSK3B (0.36) GSK3BCDK1MARK3AXLCLK2
SCHEMBL6292202 0.86 GSK3B (0.44) GSK3BKDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US disclosed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 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-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB GSK3B 1/4885CDK1 640/4885MARK3 65/4885

“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.