SCHEMBL4150322

SCHEMBL4150322

O=C(Nc1ccccc1)c1ccnc2[nH]c(-c3ccc(NCCN4CCOCC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRNA7 P36544 4/20 0.46
KCNH2 Q12809 4/20 0.46
EPHX2 P34913 1/20 0.46
PLK1 P53350 1/20 0.46
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4167122 0.90 PBK (0.42) KDM4EALDH1A1RAB9AHTTHSD17B10
SCHEMBL4158152 0.88 ALDH1A1 (0.44) KDM4EALDH1A1RAB9AHTTNPC1
SCHEMBL4161803 0.85 GSK3B (0.47) KDM4EALDH1A1RAB9AHTTRIPK1
SCHEMBL4150315 0.85 CNR2 (0.48) RAB9ANPC1EPHX2KMT2A
SCHEMBL4152692 0.85 CNR2 (0.48) RAB9ANPC1EPHX2KMT2A
SCHEMBL4152711 0.85 MAPK10 (0.54) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL4156499 0.84 MERTK (0.44) GSK3B
SCHEMBL13778196 0.81 ALDH1A1 (0.44) KDM4EALDH1A1RAB9AHTTNPC1
SCHEMBL4152887 0.81 CNR2 (0.42) KDM4EALDH1A1RAB9AHTTNPC1
SCHEMBL4149195 0.81 POLB (0.54) KDM4EALDH1A1HTTHPGDHSD17B10

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 claimed

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 KDM4E 1174/4885ALDH1A1 4274/4885RAB9A 2749/4885

“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.