SCHEMBL4160457

SCHEMBL4160457

CN1CCN(c2ccc(-c3nc4c(C(=O)NC5CCCCCC5)ccnc4[nH]3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 4/20 0.47
BMPR1A P36894 4/20 0.47
TGFBR1 P36897 4/20 0.47
ACVRL1 P37023 4/20 0.47
ACVR1 Q04771 4/20 0.47
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
BRD4 O60885 2/20 0.43
PBK Q96KB5 3/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL4161580 1.00 BMPR1B (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4165106 0.91 BMPR1B (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4146026 0.90 BMPR1B (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4152703 0.90 BMPR1B (0.57) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4158130 0.90 BMPR1B (0.57) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4160933 0.89 BMPR1B (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4145972 0.84 PARP1 (0.40) TNKSPARP1TNKS2JAK2
SCHEMBL13778187 0.84 HTR3A (0.43)
SCHEMBL13778201 0.83 HRH4 (0.44) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL4153098 0.83 PARP1 (0.38) BMPR1ATGFBR1ACVRL1ACVR1PIM1

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 4 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
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
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO 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 BMPR1B 4500/4885BMPR1A 4507/4885TGFBR1 2616/4885

“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.