SCHEMBL13778317

SCHEMBL13778317

O=C(NC1CC23CC2CCC13)c1ccnc2[nH]c(-c3ccc(NCCN4CCOCC4)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
BMPR1B O00238 3/20 0.35
BMPR1A P36894 3/20 0.35
TGFBR1 P36897 3/20 0.35
ACVRL1 P37023 3/20 0.35
ACVR1 Q04771 3/20 0.35
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4150315 0.84 CNR2 (0.48) CNR1CNR2BMPR1BBMPR1ATGFBR1
SCHEMBL4152692 0.84 CNR2 (0.48) CNR1CNR2BMPR1BBMPR1ATGFBR1
SCHEMBL13778196 0.84 ALDH1A1 (0.44) GSK3BCNR1CNR2PLK1KDM4E
SCHEMBL4156499 0.83 MERTK (0.44) GSK3BCNR1CNR2BMPR1BBMPR1A
SCHEMBL13778195 0.83 TDP1 (0.37) GSK3BCNR1CNR2PLK1KDM4E
SCHEMBL8237410 0.82 GSK3B (0.32) GSK3B
SCHEMBL8237735 0.81 GSK3A (0.34) GSK3BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4152887 0.81 CNR2 (0.42) GSK3BCNR1CNR2BMPR1BBMPR1A
SCHEMBL13778202 0.80 CNR2 (0.40) GSK3BCNR1CNR2PLK1KDM4E
SCHEMBL4150322 0.79 KDM4E (0.47) GSK3BPLK1KDM4ERAB9AL3MBTL1

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 GSK3B 1/4885CNR1 4586/4885CNR2 4327/4885

“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.