SCHEMBL5719031

SCHEMBL5719031

Cn1c(=O)c2c(ncn2-c2ccccc2Br)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.54
ADORA2A P29274 2/20 0.54
PIK3CD O00329 1/20 0.54
POLB P06746 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CNR1 P21554 1/20 0.54
ACHE P22303 1/20 0.54
ADORA1 P30542 1/20 0.54
NTSR1 P30989 1/20 0.54
MC3R P41968 1/20 0.54
NOTUM Q6P988 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
GDA Q9Y2T3 1/20 0.54
NR2E1 Q9Y466 1/20 0.54
RXFP1 Q9HBX9 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.49
P2RX7 Q99572 1/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL5719318 0.83 P2RX7 (0.60) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL5718827 0.81 L3MBTL1 (0.58) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL8598384 0.81 ADORA2B (0.51) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL515911 0.79 ADORA2B (0.61) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL19969379 0.72 ADORA2B (0.68) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL8569482 0.71 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL5671 0.71 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL11698769 0.71 ADORA2B (0.72) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL901194 0.71 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL29549294 0.71 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3

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-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ADORA2B 269/4885ADORA2A 242/4885PIK3CD 3484/4885

“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.