SCHEMBL4152887

SCHEMBL4152887

O=C(NC12CCC(CC1)C2)c1ccnc2[nH]c(-c3ccc(NCCN4CCOCC4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.42
CNR1 P21554 6/20 0.42
EPHX2 P34913 1/20 0.39
GSK3B P49841 1/20 0.38
PLK1 P53350 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 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
SCHEMBL4157398 0.92 CNR2 (0.36) CNR2CNR1SLC40A1
SCHEMBL4150315 0.83 CNR2 (0.48) CNR2CNR1EPHX2RAB9ANPC1
SCHEMBL4152708 0.83 RAD52 (0.39) CNR2CNR1GSK3BKDM4ERAB9A
SCHEMBL4152692 0.83 CNR2 (0.48) CNR2CNR1EPHX2RAB9ANPC1
SCHEMBL4156499 0.83 MERTK (0.44) CNR2CNR1GSK3BBMPR1BBMPR1A
SCHEMBL13778196 0.81 ALDH1A1 (0.44) CNR2CNR1GSK3BPLK1KDM4E
SCHEMBL4150322 0.81 KDM4E (0.47) EPHX2GSK3BPLK1KDM4ERAB9A
SCHEMBL4159185 0.81 GSK3B (0.40) CNR2CNR1GSK3B
SCHEMBL13778317 0.81 GSK3B (0.36) CNR2CNR1GSK3BPLK1KDM4E
SCHEMBL4154067 0.80 PARP1 (0.39) GSK3B

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 4327/4885CNR1 4586/4885EPHX2 2812/4885

“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.