SCHEMBL4257573

SCHEMBL4257573

Nc1cn(Cc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
PLK1 P53350 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL22637220 0.81 ALDH1A1 (0.44) GAAADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL8756843 0.80 ADORA2A (0.53) GAAADORA2AADORA1ADORA3SMN1; SMN2
Hydrochloric Acid SCHEMBL9325243 0.77 ADORA2A (0.50) GAAADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL28749965 0.77 ADORA2A (0.47) GAAADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL544466 0.77 PDE10A (0.39) GAAADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL28052721 0.77 ALDH1A1 (0.38) GAAADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL4265334 0.76 ALDH1A1 (0.78) GAASMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL544412 0.74 KDM4E (0.47) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL21543007 0.72 CYP19A1 (0.44) ADORA2AADORA1ADORA3KLKB1MAPT
SCHEMBL9323314 0.72 APP (0.44) ADORA2AADORA1ADORA3SMN1; SMN2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 GAA 1001/4885ADORA2A 840/4885ADORA1 570/4885

“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.