SCHEMBL5719318

SCHEMBL5719318

Cn1c(=O)c2c(ncn2-c2ccccc2Cl)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.60
ADORA2B P29275 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
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
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL5719031 0.83 ADORA2B (0.54) P2RX7ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL8598384 0.81 ADORA2B (0.51) P2RX7ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL5718827 0.81 L3MBTL1 (0.58) ADORA2BSMN1; SMN2RXFP1ADORA2APIK3CD
SCHEMBL515911 0.79 ADORA2B (0.61) P2RX7ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL5719123 0.78 MAPK1 (0.56) SMN1; SMN2POLBLMNAALDH1A1MAPK1
SCHEMBL458792 0.77 HTR7 (0.63) ADORA2BSMN1; SMN2RXFP1LMNAALDH1A1
SCHEMBL29375465 0.77 HTR7 (0.63) ADORA2BSMN1; SMN2RXFP1LMNAALDH1A1
SCHEMBL684356 0.77 HTR7 (0.58) ADORA2BSMN1; SMN2RXFP1LMNAALDH1A1
SCHEMBL2955104 0.77 P2RX7 (0.43) P2RX7ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL5719350 0.77 ADORA2B (0.43) P2RX7ADORA2BSMN1; SMN2RXFP1POLB

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 6 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
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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 (2 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 P2RX7 110/4885ADORA2B 269/4885SMN1; SMN2 3959/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 P2RX7 1045/4885ADORA2B 979/4885SMN1; SMN2 4516/4885

“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.