SCHEMBL3490770

SCHEMBL3490770

CSc1ccc(-c2coc3ncc(C(=O)NN)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CAMKK2 Q96RR4 2/20 0.35
CHRNA7 P36544 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
PLK1 P53350 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3490103 0.83 ALDH1A1 (0.39) GSK3BALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3491848 0.81 GSK3B (0.52) GSK3BMAPK14ALDH1A1LMNAGAA
SCHEMBL3492865 0.75 CNR1 (0.40) ALDH1A1CYP1A2CYP2C19HDAC3HDAC1
SCHEMBL3492513 0.70 GSK3B (0.47) GSK3BMAPK14CAMKK2CAMKK1CCNT1
SCHEMBL2830827 0.69 PLK1 (0.68) ALDH1A1LMNAGAASMN1; SMN2HAO1
SCHEMBL3492440 0.68 P2RX7 (0.42) GSK3BALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3491084 0.68 GSK3B (0.60) GSK3BALDH1A1GAASMN1; SMN2HAO1
SCHEMBL3490841 0.68 AR (0.41) GSK3BMAPK14ALDH1A1LMNAGAA
SCHEMBL3579289 0.67 CAMKK2 (0.45) GSK3BALDH1A1SMN1; SMN2CAMKK2CAMKK1
SCHEMBL3493620 0.65 GSK3B (0.45) GSK3BLMNAHAO1PLK1

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885MAPK14 340/4885ALDH1A1 1473/4885

“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.