SCHEMBL3971599

SCHEMBL3971599

Cn1c(CCc2ccccc2)nc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.64
HTR2C P28335 2/20 0.56
HTR3A P46098 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PIM1 P11309 1/20 0.50
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
SOS1 Q07889 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL3974704 0.96 DPP4 (0.60) DPP4HTR2CHTR3AL3MBTL1PIM1
SCHEMBL13217354 0.93 HTR2C (0.55) DPP4HTR2CHTR3AL3MBTL1ALDH1A1
SCHEMBL13200044 0.88 DPP4 (0.63) DPP4HTR2CHTR3A
SCHEMBL3971925 0.84 DPP4 (0.60) DPP4ALDH1A1NPSR1TSHRMAPK1
SCHEMBL13217436 0.83 DPP4 (0.56) DPP4HTR2CHTR3AL3MBTL1PIM1
SCHEMBL3971482 0.83 DPP4 (0.59) DPP4ALDH1A1NPSR1TSHRMAPK1
Trifluoroacetic Acid SCHEMBL2964154 0.82 DPP4 (0.56) DPP4HTR2CHTR3A
SCHEMBL3971168 0.82 DPP4 (0.45) DPP4HTR2CALDH1A1NPSR1TSHR
SCHEMBL3971373 0.82 DPP4 (0.62) DPP4HTR3AL3MBTL1PIM1ALDH1A1
SCHEMBL3971403 0.81 DPP4 (0.67) DPP4ALDH1A1TSHRLMNA

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-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 1/4885HTR2C 1743/4885HTR3A 1186/4885

“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.