SCHEMBL3972243

SCHEMBL3972243

Cn1c(NCc2ccc(F)cc2)nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.59
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
FAP Q12884 3/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 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
SCHEMBL3973702 1.00 DPP4 (0.59) DPP4MAPTHTTFAPKCNH2
SCHEMBL3966257 0.95 DPP4 (0.65) DPP4MAPTFAPKCNH2ALDH1A1
Trifluoroacetic Acid SCHEMBL3975228 0.95 DPP4 (0.54) DPP4MAPTHTTFAPKCNH2
SCHEMBL3967659 0.93 DPP4 (0.60) DPP4MAPTFAPKCNH2ALDH1A1
SCHEMBL3975642 0.92 DPP4 (0.61) DPP4MAPTFAPKCNH2ALDH1A1
SCHEMBL3971230 0.91 DPP4 (0.55) DPP4MAPTFAPKCNH2ALDH1A1
SCHEMBL3970532 0.91 DPP4 (0.57) DPP4MAPTFAPKCNH2ALDH1A1
SCHEMBL3969471 0.91 DPP4 (0.58) DPP4MAPTHTTFAPKCNH2
Trifluoroacetic Acid SCHEMBL1071792 0.90 DPP4 (0.58) DPP4MAPTFAPALDH1A1LMNA
SCHEMBL3970956 0.90 DPP4 (0.58) DPP4MAPTFAPKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US claimed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP claimed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP claimed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO claimed
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 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 (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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885MAPT 1182/4885HTT 4463/4885

“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.