SCHEMBL14728491

SCHEMBL14728491

N#Cc1c2c(c(N3CCC(C(N)=O)CC3)n3c1nc1ccccc13)C1CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 3/20 0.45
ADORA2A P29274 1/20 0.45
TSHR P16473 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 7/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
PRF1 P14222 2/20 0.42
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 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
SCHEMBL14728488 0.86 NPSR1 (0.53) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL14728490 0.85 MAPK1 (0.46) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL14728447 0.84 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1ADORA2ATSHR
SCHEMBL14728486 0.83 MAPK1 (0.46) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL14728489 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL14728502 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPK1ADORA2ATSHR
SCHEMBL14728446 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPK1ADORA2ATSHR
SCHEMBL14728423 0.83 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1ADORA2ATSHR
SCHEMBL14728448 0.82 MEN1 (0.47) ALDH1A1HSD17B10MAPK1ADORA2ATSHR
SCHEMBL14728333 0.82 MAPK1 (0.64) ALDH1A1HSD17B10MAPK1TSHRCASP1

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 ALDH1A1 1070/4885HSD17B10 2115/4885MAPK1 1029/4885

“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.