SCHEMBL4153579

SCHEMBL4153579

O=C(NC1CCCCCC1)c1ccnc2[nH]c(-c3ccc(NCCN4CCNCC4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 9/20 0.42
RAD52 P43351 1/20 0.39
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
DHODH Q02127 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CD38 P28907 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
SCHEMBL4167109 1.00 PBK (0.42) PBKRAD52BMPR1BBMPR1ATGFBR1
SCHEMBL4150315 0.91 CNR2 (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4152692 0.91 CNR2 (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4167122 0.84 PBK (0.42) PBKSIGMAR1
SCHEMBL4156499 0.83 MERTK (0.44) PBKBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4153562 0.83 PBK (0.47) PBKDHODHCD38
SCHEMBL4164571 0.83 PBK (0.47) PBKDHODHCD38
SCHEMBL4144891 0.82 RAD52 (0.42) PBKRAD52ACVR1CNR1CNR2
SCHEMBL13778199 0.82 CNR2 (0.36) PBKCNR1CNR2SIGMAR1MEN1
SCHEMBL13778204 0.82 ALDH1A1 (0.37) PBKBMPR1BBMPR1ATGFBR1ACVRL1

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 PBK 999/4885RAD52 4618/4885BMPR1B 4500/4885

“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.