SCHEMBL4157398

SCHEMBL4157398

O=C(NC12CCC(CC1)C2)c1ccnc2[nH]c(-c3ccc(NCCN4CCCCC4)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
PARP1 P09874 3/20 0.35
DHODH Q02127 2/20 0.35
SLC40A1 Q9NP59 1/20 0.35
AURKB Q96GD4 3/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
PIM3 Q86V86 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CNR1 P21554 1/20 0.34
CDK2 P24941 2/20 0.33
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
TNIK Q9UKE5 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CHRNA7 P36544 5/20 0.32

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
SCHEMBL4152887 0.92 CNR2 (0.42) CNR2SLC40A1CNR1
SCHEMBL4152708 0.85 RAD52 (0.39) CNR2PARP1CNR1
SCHEMBL4159185 0.82 GSK3B (0.40) CNR2PARP1CNR1
SCHEMBL13778204 0.81 ALDH1A1 (0.37) PARP1DHODHSLC40A1AURKBPIM1
SCHEMBL4154067 0.79 PARP1 (0.39) PARP1AURKBPIM1PIM3KCNH2
SCHEMBL13778197 0.79 GRK2 (0.36) CNR2DHODHCNR1
SCHEMBL4167109 0.79 PBK (0.42) CNR2DHODHCNR1SIGMAR1
SCHEMBL4153579 0.79 PBK (0.42) CNR2DHODHCNR1SIGMAR1
SCHEMBL4152692 0.78 CNR2 (0.48) CNR2CNR1
SCHEMBL4150315 0.78 CNR2 (0.48) CNR2CNR1

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-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 claimed
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 CNR2 4327/4885PARP1 1827/4885DHODH 3332/4885

“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.