SCHEMBL14728680

SCHEMBL14728680

CC1(CO)CCN(c2c(Cc3ccccc3)cc(C#N)c3nc4ccccc4n23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
CASP1 P29466 5/20 0.44
CASP7 P55210 4/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 3/20 0.44
PKM P14618 1/20 0.44
PDE4B Q07343 1/20 0.44
HSD17B10 Q99714 5/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 4/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL14728695 0.83 PDE4B (0.47) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728689 0.83 PDE4B (0.51) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728626 0.79 KDM4E (0.70) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728444 0.79 KDM4E (0.67) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728573 0.79 PDE4B (0.56) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728666 0.78 KDM4E (0.69) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728656 0.77 CASP1 (0.53) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728574 0.76 KDM4E (0.57) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728612 0.76 KDM4E (0.56) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728587 0.75 KDM4E (0.43) KDM4ECASP1CASP7MAPK1TSHR

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 KDM4E 586/4885CASP1 2732/4885CASP7 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.