SCHEMBL14728370

SCHEMBL14728370

Cc1c(CCO)c(N2CCC(C(N)=O)CC2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TSHR P16473 3/20 0.63
CASP1 P29466 3/20 0.63
HPGD P15428 3/20 0.63
CASP7 P55210 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HIF1A Q16665 1/20 0.59
KMT2A Q03164 5/20 0.57
NPSR1 Q6W5P4 4/20 0.57
MEN1 O00255 4/20 0.57
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL14728506 0.87 ALDH1A1 (0.54) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728348 0.84 ALDH1A1 (0.66) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728447 0.83 ALDH1A1 (0.49) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL6311130 0.82 HIF1A (0.57) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728347 0.82 ALDH1A1 (0.50) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728430 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728426 0.81 MEN1 (0.49) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728423 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728502 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCASP1HPGDCASP7
SCHEMBL14728446 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCASP1HPGDCASP7

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 1070/4885TSHR 3031/4885CASP1 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.