SCHEMBL4286765

SCHEMBL4286765

O=C(Nc1cnn(C2CCCC2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 4/20 0.54
LRRK2 Q5S007 4/20 0.54
NAMPT P43490 2/20 0.53
KMT2A Q03164 1/20 0.49
MAPK8 P45983 2/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ACHE P22303 3/20 0.47
BCAT2 O15382 1/20 0.47
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
MAPK7 Q13164 1/20 0.45
ALKBH1 Q13686 1/20 0.45
KDM1A O60341 1/20 0.45
ROCK1 Q13464 1/20 0.44

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
SCHEMBL4285440 0.79 OGA (0.53) CLK2LRRK2ACHE
SCHEMBL29757925 0.79 ACHE (0.49) CLK2LRRK2ACHE
SCHEMBL10196668 0.78 MAPK7 (0.52) CLK2LRRK2NAMPTMAPK8MAPK9
SCHEMBL27229190 0.78 CLK2 (0.53) CLK2LRRK2NAMPTMAPK8MAPK9
SCHEMBL28694743 0.77 MAPK8 (0.54) CLK2LRRK2MAPK8MAPK9MAPK10
SCHEMBL6966254 0.77 EGFR (0.70) NAMPTMAPK8MAPK10BCAT2EGFR
SCHEMBL27229309 0.76 CLK2 (0.69) CLK2LRRK2NAMPTMAPK8MAPK9
SCHEMBL10196675 0.76 MAPK7 (0.56) CLK2LRRK2NAMPTMAPK8MAPK9
SCHEMBL10194839 0.76 MAPK7 (0.56) CLK2LRRK2NAMPTMAPK7
SCHEMBL28694761 0.76 SMN1; SMN2 (0.53) CLK2LRRK2MAPK7ROCK1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP CLK2 2982/4885LRRK2 828/4885NAMPT 954/4885

“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.