SCHEMBL14728310

SCHEMBL14728310

Cc1c(Cc2ccccc2)c(N2CCCNCC2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CASP1 P29466 4/20 0.57
ALDH1A1 P00352 4/20 0.57
CASP7 P55210 3/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 4/20 0.54
ATM Q13315 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.53
MAPK1 P28482 2/20 0.53
HSP90AA1 P07900 2/20 0.53
MCL1 Q07820 1/20 0.53
PKM P14618 1/20 0.50
LMNA P02545 2/20 0.49
HK1 P19367 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
SCHEMBL4780216 0.96 NPSR1 (0.60) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728326 0.90 CYP2C9 (0.66) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728335 0.89 NPSR1 (0.57) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728316 0.87 NPSR1 (0.64) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728303 0.85 NPSR1 (0.54) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728309 0.84 NPSR1 (0.59) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728308 0.83 NPSR1 (0.58) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728721 0.82 NPSR1 (0.56) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL14728325 0.82 NPSR1 (0.61) NPSR1KMT2AMEN1CASP1ALDH1A1
SCHEMBL6317936 0.80 ALDH1A1 (0.55) NPSR1KMT2AMEN1CASP1ALDH1A1

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

“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.