SCHEMBL3975229

SCHEMBL3975229

Cn1c(NCc2ccccc2)nc2nc(C3CCCNC3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 4/20 0.47
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
CHRM1 P11229 2/20 0.45
HRH1 P35367 2/20 0.45
HTT P42858 4/20 0.44
LMNA P02545 5/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
STAT6 P42226 1/20 0.43
TP53 P04637 2/20 0.42
ADORA1 P30542 1/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL3973167 0.89 MAPT (0.51) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3974633 0.84 MAPT (0.48) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3972253 0.84 CHRM1 (0.46) MAPTALDH1A1GAACHRM1HRH1
SCHEMBL4635241 0.78 DPP4 (0.58) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3971373 0.78 DPP4 (0.62) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3970466 0.75 MAPT (0.52) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3969471 0.74 DPP4 (0.58) MAPTALDH1A1HIF1APKMGAA
SCHEMBL4077418 0.74 DPP4 (0.58) MAPTALDH1A1HIF1APKMGAA
SCHEMBL3966257 0.74 DPP4 (0.65) MAPTALDH1A1LMNATSHR
SCHEMBL3966284 0.74 THRB (0.62) MAPTALDH1A1HIF1APKMGAA

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 MAPT 1182/4885ALDH1A1 241/4885HIF1A 3496/4885

“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.