SCHEMBL6296527

SCHEMBL6296527

N#CC1=C(C2CCNCC2)Nc2n[nH]cc2C1c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
CDK1 P06493 1/20 0.36
MARK3 P27448 1/20 0.36
AXL P30530 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
SLK Q9H2G2 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTR2C P28335 4/20 0.32
IKBKB O14920 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR6 P50406 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
Hydrochloric Acid SCHEMBL6296665 0.99 GSK3B (0.36) GSK3BCDK1MARK3AXLCLK2
SCHEMBL6293475 0.93 GSK3B (0.39) GSK3BCDK1MARK3AXLCLK2
SCHEMBL6296537 0.88 GSK3B (0.33) GSK3BHTR2CIKBKBKDM4EALDH1A1
SCHEMBL6221768 0.87 HTR1A (0.37) GSK3BCDK1MARK3CLK2CDK5
SCHEMBL8344295 0.87 HTR2C (0.45) GSK3BHTR2CKDM4EALDH1A1MAPT
SCHEMBL6293526 0.87 GSK3B (0.45) GSK3BCDK1MARK3AXLCLK2
SCHEMBL6221027 0.87 GSK3B (0.33) GSK3BIKBKBHTR6
Hydrochloric Acid SCHEMBL6220172 0.86 EEF2K (0.40) CLK2MARK2SLKHTR2CMAPT
Hydrochloric Acid SCHEMBL6296797 0.86 HTR1A (0.36) GSK3BCDK1MARK3CLK2CDK5
Hydrochloric Acid SCHEMBL6293704 0.86 GSK3B (0.32) GSK3BHTR2CIKBKBHTR6

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.