SCHEMBL14367203

SCHEMBL14367203

C=C(C)/C=C\C(=N)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
PKM P14618 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 4/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AGTR1 P30556 1/20 0.32

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
SCHEMBL25867515 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHTTPKMCA12
SCHEMBL21746003 0.74 LMNA (0.38) SMN1; SMN2LMNAMAPTHTTPKM
SCHEMBL23716605 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MAPTHTTCA12CA1
SCHEMBL20663399 0.74 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTHTTCA12
SCHEMBL21266696 0.73 HTT (0.43) SMN1; SMN2LMNAMAPTHTTPKM
SCHEMBL20468903 0.73
SCHEMBL19245083 0.73 LMNA (0.43) SMN1; SMN2LMNAMAPTCA12CA1
SCHEMBL26935700 0.72 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTHTTCA12
SCHEMBL23807060 0.72 PDK1 (0.43) SMN1; SMN2LMNAMAPTHTTPKM
SCHEMBL23866149 0.72 SMN1; SMN2 (0.44) SMN1; SMN2MAPTHTTPKMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 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-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 SMN1; SMN2 526/4885LMNA 1882/4885MAPT 1728/4885

“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.