SCHEMBL14728664

SCHEMBL14728664

N#CC1CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)C2CCC3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 4/20 0.37
PDE10A Q9Y233 3/20 0.37
TSHR P16473 3/20 0.37
CASP1 P29466 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP7 P55210 2/20 0.37
HPGD P15428 1/20 0.37
PRF1 P14222 2/20 0.36
KDM4E B2RXH2 5/20 0.35
MAPK1 P28482 3/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX12 P18054 1/20 0.35
ADORA2A P29274 1/20 0.34
HIF1A Q16665 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL14728662 0.85 PDE4B (0.43) PDE4BALDH1A1CASP1HSD17B10HPGD
SCHEMBL14728490 0.83 MAPK1 (0.46) ALDH1A1TSHRCASP1HSD17B10CASP7
SCHEMBL14728299 0.82 MAPK1 (0.49) PDE4BALDH1A1PDE10ATSHRCASP1
Hydrochloric Acid SCHEMBL14716026 0.81 MAPK1 (0.48) PDE4BALDH1A1PDE10ATSHRCASP1
SCHEMBL14728665 0.81 PDE4B (0.55) PDE4BALDH1A1TSHRCASP1HSD17B10
SCHEMBL14728646 0.80 PDE4B (0.65) PDE4BALDH1A1PDE10ATSHRCASP1
SCHEMBL14728491 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCASP1HSD17B10CASP7
SCHEMBL14716329 0.79 PDE4B (0.68) PDE4BALDH1A1TSHRCASP1HSD17B10
SCHEMBL14728660 0.78 PDE4B (0.49) PDE4BALDH1A1TSHRCASP1HSD17B10
SCHEMBL14728261 0.78 KDM4E (0.40) PDE4BALDH1A1CASP1HSD17B10HPGD

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-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 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-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE PDE4B, PDE4A, PDE4C PDE4B 1/4885ALDH1A1 1070/4885PDE10A 22/4885

“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.