SCHEMBL4152814

SCHEMBL4152814

CC1CCN(c2ccc(-c3nc4c(C(=O)NC5CN6C#CC5CC6)ccnc4[nH]3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
CLK2 P49760 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2D Q13557 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM3 Q86V86 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL4153098 0.92 PARP1 (0.38) AURKBPRKD3MAP4K4PIM1CLK2
SCHEMBL4145550 0.91 PARP1 (0.40) PRKD3PRKD2PARP1ACVR1PBK
SCHEMBL4154174 0.86 GSK3B (0.38) GSK3AGSK3BPARP1PBK
SCHEMBL4165106 0.83 BMPR1B (0.47) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL4161139 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL4161142 0.77 CNR2 (0.41) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL13778187 0.76 HTR3A (0.43)
SCHEMBL8238611 0.75 HTR3A (0.54) PARP1
SCHEMBL13778201 0.74 HRH4 (0.44) AURKBALDH1A1SMN1; SMN2GSK3AGSK3B
SCHEMBL4161580 0.74 BMPR1B (0.47) PIM1PIM3PARP1ACVR1PBK

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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 AURKB 54/4885PRKD3 94/4885MAP4K4 30/4885

“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.