SCHEMBL14728668

SCHEMBL14728668

CC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCCCC3)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.63
KDM4E B2RXH2 9/20 0.47
CASP1 P29466 6/20 0.47
TSHR P16473 4/20 0.47
CASP7 P55210 3/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL14728635 0.99 PDE4B (0.64) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14716461 0.97 PDE4B (0.64) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14728302 0.90 PDE4B (0.59) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14728297 0.90 PDE4B (0.61) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14716270 0.89 PDE4B (0.71) PDE4BKDM4ECASP1TSHRCASP7
Hydrochloric Acid SCHEMBL14735254 0.89 PDE4B (0.59) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14728691 0.89 PDE4B (0.59) PDE4BKDM4ECASP1TSHRCASP7
Hydrochloric Acid SCHEMBL14716134 0.89 PDE4B (0.59) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14728682 0.88 PDE4B (0.60) PDE4BKDM4ECASP1TSHRCASP7
SCHEMBL14728273 0.88 PDE4B (0.80) PDE4BKDM4ECASP1TSHRCASP7

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 PDE4B 1/4885KDM4E 586/4885CASP1 2732/4885

“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.