SCHEMBL6293501

SCHEMBL6293501

CN1CCC(C2=C(C#N)C(c3ccccc3Cl)c3c[nH]nc3N2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
CDK1 P06493 1/20 0.37
ROS1 P08922 1/20 0.37
MARK3 P27448 1/20 0.37
CLK2 P49760 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
ALOX12 P18054 1/20 0.35
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6220816 0.92 GSK3B (0.46) GSK3BCDK1ROS1MARK3CLK2
SCHEMBL6292238 0.91 GSK3B (0.39) GSK3BCDK1ROS1MARK3CLK2
SCHEMBL6297287 0.90 GSK3B (0.43) GSK3BCDK1ROS1MARK3CLK2
SCHEMBL6292207 0.89 GSK3B (0.46) GSK3BALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8344138 0.89 GSK3B (0.46) GSK3BALDH1A1MAPTKDM4EHPGD
SCHEMBL6292358 0.89 GSK3B (0.38) GSK3BCDK1ROS1MARK3CLK2
SCHEMBL6296500 0.89 GSK3B (0.38) GSK3BCDK1ROS1MARK3CLK2
SCHEMBL6219901 0.88 GSK3B (0.45) GSK3BCLK2SLKALDH1A1MAPT
SCHEMBL6293526 0.88 GSK3B (0.45) GSK3BCDK1MARK3CLK2CDK5
SCHEMBL6293740 0.88 GSK3B (0.37) GSK3BCDK1ROS1MARK3CLK2

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 640/4885ROS1 1179/4885

“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.