SCHEMBL9897381

SCHEMBL9897381

C[C@H](/N=C1/CCCC[C@@H]1C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MIF P14174 2/20 0.36
MAPK1 P28482 1/20 0.35
OGG1 O15527 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NOS2 P35228 1/20 0.34
HSD11B1 P28845 2/20 0.33

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
SCHEMBL15519424 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160567 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9897387 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL15519422 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9897385 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160571 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160569 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9920362 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL21030435 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160570 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 GAA 4531/4885ALDH1A1 1632/4885MAPT 4022/4885

“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.