SCHEMBL3976850

SCHEMBL3976850

Cn1c(NCCCC2CCCCC2)nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.58
FAP Q12884 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3969757 0.95 DPP4 (0.59) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3968845 0.90 DPP4 (0.61) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3970984 0.90 DPP4 (0.61) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3975838 0.90 DPP4 (0.61) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3969251 0.89 DPP4 (0.62) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3971400 0.88 DPP4 (0.63) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3969560 0.88 DPP4 (0.63) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3974557 0.88 DPP4 (0.63) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3969502 0.88 DPP4 (0.59) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3970559 0.88 DPP4 (0.59) DPP4FAPALDH1A1LMNAMAPT

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-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
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
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US 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
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

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-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885FAP 36/4885ALDH1A1 187/4885
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885FAP 48/4885ALDH1A1 241/4885

“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.