SCHEMBL5789162

SCHEMBL5789162

COc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.59
EPHB4 P54760 8/20 0.56
POLB P06746 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ADRB1 P08588 1/20 0.49
DRD2 P14416 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTR3A P46098 1/20 0.49
HTR6 P50406 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
ABL1 P00519 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL5719106 0.92 DPP4 (0.54) DPP4EPHB4POLBSIRT5MEN1
SCHEMBL5792690 0.85 DPP4 (0.64) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5789590 0.84 DPP4 (0.59) DPP4HTR3EHTR3BADRB1DRD2
SCHEMBL5718847 0.83 DPP4 (0.58) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5719498 0.82 L3MBTL1 (0.49) EPHB4DRD2MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL5719494 0.78 DPP4 (0.58) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5792865 0.78 DPP4 (0.51) DPP4ALDH1A1
Trifluoroacetic Acid SCHEMBL5719051 0.78 DPP4 (0.53) DPP4ALDH1A1
SCHEMBL5788088 0.78 ALDH1A1 (0.57) DPP4POLBMEN1KMT2AMAPT
SCHEMBL10309073 0.76 ALDH1A1 (0.76) DPP4POLBSIRT5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US claimed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP claimed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US 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 DPP4 1/4885EPHB4 2198/4885POLB 3415/4885

“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.