SCHEMBL14728615

SCHEMBL14728615

CC(=O)N1CC(c2c(C)c(N3CCC(C#N)CC3)n3c(nc4ccccc43)c2C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 8/20 0.49
CASP1 P29466 4/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 2/20 0.49
CASP7 P55210 2/20 0.49
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 7/20 0.45
LMNA P02545 2/20 0.44
GLA P06280 4/20 0.43
GAA P10253 3/20 0.43
RXFP1 Q9HBX9 3/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL14728613 0.86 ALDH1A1 (0.48) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728559 0.84 NPSR1 (0.50) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728614 0.84 NPSR1 (0.48) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728504 0.84 NPSR1 (0.47) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728561 0.84 NPSR1 (0.47) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728425 0.84 ALDH1A1 (0.55) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728448 0.83 MEN1 (0.47) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728539 0.82 ALDH1A1 (0.50) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728636 0.82 NPSR1 (0.46) MEN1KMT2ANPSR1ALDH1A1CASP1
SCHEMBL14728468 0.82 ALDH1A1 (0.51) MEN1KMT2ANPSR1ALDH1A1CASP1

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 MEN1 4281/4885KMT2A 1312/4885NPSR1 2690/4885

“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.