SCHEMBL6319707

SCHEMBL6319707

CN[C@H]1CCN(c2c(-c3ccccc3)c(C)c(C#N)c3nc4ncccc4n23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
CASP1 P29466 3/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HRH4 Q9H3N8 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
NRP1 O14786 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL6311573 0.93 HSD17B10 (0.38) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6312893 0.88 KCNMA1 (0.39) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6314470 0.88 ALDH1A1 (0.50) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6318849 0.86 CASP1 (0.38) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6651720 0.83 HSD17B10 (0.38) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6318649 0.83 ALDH1A1 (0.41) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6311018 0.82 HSD17B10 (0.38) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6313411 0.77 LMNA (0.47) HSD17B10ALDH1A1LMNAMEN1KMT2A
SCHEMBL6311786 0.77 ALDH1A1 (0.47) HSD17B10CASP1ALDH1A1LMNAMEN1
SCHEMBL6392201 0.76 MAPK8 (0.40) ALDH1A1LMNAMEN1KMT2AHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 HSD17B10 4223/4885CASP1 261/4885ALDH1A1 2550/4885

“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.