SCHEMBL14728501

SCHEMBL14728501

Cc1c(C2CCSCC2)c(C#N)c2nc3ccccc3n2c1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
HIF1A Q16665 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 5/20 0.44
CASP1 P29466 5/20 0.44
TSHR P16473 4/20 0.44
CASP7 P55210 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 6/20 0.44
GLA P06280 5/20 0.44
GAA P10253 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
RECQL P46063 1/20 0.42
MAPK1 P28482 2/20 0.42
ALOX12 P18054 1/20 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
SCHEMBL14728504 0.89 NPSR1 (0.47) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728450 0.89 ALDH1A1 (0.53) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728580 0.87 NPSR1 (0.56) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728462 0.85 ALDH1A1 (0.49) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728561 0.85 NPSR1 (0.47) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728502 0.85 ALDH1A1 (0.47) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728557 0.84 NPSR1 (0.47) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728470 0.83 ALDH1A1 (0.48) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728486 0.81 MAPK1 (0.46) NPSR1HIF1AMEN1KMT2AALDH1A1
SCHEMBL14728446 0.81 ALDH1A1 (0.47) NPSR1HIF1AMEN1KMT2AALDH1A1

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 2690/4885HIF1A 4159/4885MEN1 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.