SCHEMBL14728577

SCHEMBL14728577

N#Cc1c2c(c(N3CCC(C#N)CC3)n3c1nc1ccccc13)CN(CCc1cccnc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.56
HSD17B10 Q99714 5/20 0.56
CASP7 P55210 4/20 0.56
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
GAA P10253 4/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.47
HIF1A Q16665 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GLA P06280 3/20 0.44
RXFP1 Q9HBX9 3/20 0.43
NPSR1 Q6W5P4 4/20 0.42
CYP2C9 P11712 2/20 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
SCHEMBL14728578 0.95 CASP1 (0.55) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728453 0.92 KDM4E (0.54) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728479 0.89 CASP1 (0.53) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728576 0.87 CASP1 (0.56) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728567 0.85 KDM4E (0.59) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728638 0.85 CASP1 (0.55) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728569 0.85 ALDH1A1 (0.62) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728481 0.85 CASP1 (0.51) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728564 0.84 KDM4E (0.53) CASP1HSD17B10CASP7KDM4EALDH1A1
SCHEMBL14728597 0.83 KDM4E (0.53) CASP1HSD17B10CASP7KDM4EALDH1A1

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 CASP1 2732/4885HSD17B10 2115/4885CASP7 3174/4885

“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.