SCHEMBL5275960

SCHEMBL5275960

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
FAP Q12884 5/20 0.67
DPP9 Q86TI2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL5718822 0.94 DPP4 (0.89) DPP4FAPDPP9
SCHEMBL5719681 0.91 DPP4 (0.83) DPP4FAPDPP9
SCHEMBL5719250 0.91 DPP4 (0.83) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719078 0.90 DPP4 (0.82) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719322 0.89 DPP4 (0.80) DPP4FAPDPP9
SCHEMBL5719065 0.89 DPP4 (0.80) DPP4FAPDPP9L3MBTL1
SCHEMBL5719852 0.88 DPP4 (0.78) DPP4FAPDPP9L3MBTL1
SCHEMBL5719403 0.87 DPP4 (0.77) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719456 0.87 DPP4 (0.77) DPP4FAPDPP9
SCHEMBL555190 0.87 DPP4 (0.77) DPP4FAPL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US claimed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US claimed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP claimed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP claimed
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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
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 (3 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 1/4885FAP 402/4885DPP9 2/4885
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 DPP4 2329/4885FAP 4619/4885DPP9 2857/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885FAP 484/4885DPP9 6/4885

“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.