Sugi Predict

Sugi Predict / Compounds / SCHEMBL555383

SCHEMBL555383

SCHEMBL555383

Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2C#N)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.61
▸ HTT P42858 2/20 0.59
▸ KMT2A Q03164 1/20 0.58
▸ TSHR P16473 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ RECQL P46063 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL637744 0.89 DPP4 (0.55) DPP4HTTKMT2ATSHRLMNA
SCHEMBL637680 0.88 KMT2A (0.53) DPP4HTTKMT2ATSHRLMNA
SCHEMBL638793 0.88 KMT2A (0.59) DPP4HTTKMT2ATSHRLMNA
SCHEMBL638394 0.88 DPP4 (0.64) DPP4HTTKMT2ATSHRLMNA
SCHEMBL638180 0.87 DPP4 (0.65) DPP4HTTKMT2ATSHRLMNA
SCHEMBL637651 0.87 SMN1; SMN2 (0.52) DPP4HTTKMT2ATSHRLMNA
SCHEMBL556986 0.87 DPP4 (0.53) DPP4HTTKMT2ATSHRLMNA
SCHEMBL1542286 0.84 TSHR (0.78) DPP4HTTKMT2ATSHRLMNA
SCHEMBL28047362 0.84 DPP4 (0.59) DPP4HTTKMT2ATSHRLMNA
SCHEMBL638925 0.84 KMT2A (0.54) DPP4HTTKMT2ATSHRLMNA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 — — US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 — — EP disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 — — US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 — — EP disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 — — US disclosed
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 — — US disclosed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 — — EP disclosed
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-02-16 — — US disclosed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 — — US disclosed
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2011-06-16 — — US disclosed
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 — — US disclosed
US-20030199528-A1 Hetrocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-10-23 — — US disclosed
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 — — WO disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 — — US disclosed
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 — — EP disclosed
WO-2003024965-A2 HETEROCYCLIC COMPOUNDS THAT ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-03-27 — — WO disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 — — US disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 — — US disclosed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 — — WO 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 (12 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-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 3529/4885KMT2A 3475/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885HTT 3677/4885KMT2A 3439/4885
US-20030199528-A1 Hetrocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885HTT 3767/4885KMT2A 2799/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 3529/4885KMT2A 3475/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 3677/4885KMT2A 3439/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 3677/4885KMT2A 3439/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885HTT 3529/4885KMT2A 3475/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885HTT 2467/4885KMT2A 2337/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885HTT 1168/4885KMT2A 1635/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 4086/4885KMT2A 3433/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885HTT 1152/4885KMT2A 3177/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885HTT 3529/4885KMT2A 3475/4885

“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.