SCHEMBL14728464

SCHEMBL14728464

N#Cc1c2c(c(N3CCC(C(N)=O)CC3)n3c1nc1ccccc13)CN(CCN1CCOCC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
GAA P10253 6/20 0.55
GLA P06280 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 10/20 0.54
CASP1 P29466 7/20 0.54
TSHR P16473 5/20 0.54
CASP7 P55210 5/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 7/20 0.52
HSD17B10 Q99714 6/20 0.52
POLB P06746 3/20 0.52
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
PRF1 P14222 1/20 0.47
ALOX12 P18054 1/20 0.46

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
SCHEMBL14728463 0.93 CASP1 (0.57) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728545 0.91 KDM4E (0.63) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728452 0.90 KDM4E (0.53) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728534 0.89 KDM4E (0.53) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728482 0.88 KDM4E (0.51) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728459 0.88 KDM4E (0.51) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728569 0.88 ALDH1A1 (0.62) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728466 0.87 KDM4E (0.50) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728478 0.87 CASP1 (0.53) ALDH1A1GAAGLAMEN1KMT2A
SCHEMBL14728483 0.87 KDM4E (0.52) ALDH1A1GAAGLAMEN1KMT2A

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 1070/4885GAA 507/4885GLA 195/4885

“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.