SCHEMBL3972253

SCHEMBL3972253

Cn1c(CCc2ccccc2)nc2nc(C3CCCNC3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
HRH1 P35367 2/20 0.46
KMT2A Q03164 1/20 0.43
HTR2C P28335 2/20 0.42
DPP4 P27487 2/20 0.40
TSHR P16473 6/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL3971168 0.89 DPP4 (0.45) KMT2AHTR2CDPP4TSHRMAPK1
SCHEMBL3975229 0.84 MAPT (0.48) CHRM1HRH1KMT2ATSHRMAPK1
SCHEMBL3968659 0.83 DPP4 (0.45) KMT2ADPP4TSHRMAPK1TP53
SCHEMBL3974704 0.77 DPP4 (0.60) HTR2CDPP4TSHRMAPK1ALDH1A1
SCHEMBL3971599 0.77 DPP4 (0.64) HTR2CDPP4TSHRMAPK1ALDH1A1
SCHEMBL3971925 0.73 DPP4 (0.60) DPP4TSHRMAPK1ALDH1A1RECQL
SCHEMBL3971403 0.73 DPP4 (0.67) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL3971482 0.73 DPP4 (0.59) DPP4TSHRMAPK1ALDH1A1RECQL
SCHEMBL3971474 0.72 DPP4 (0.64) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL3973167 0.72 MAPT (0.51) KMT2ADPP4TSHRMAPK1TP53

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 CHRM1 1289/4885HRH1 1795/4885KMT2A 4045/4885

“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.