SCHEMBL3268913

SCHEMBL3268913

CN(C)c1nc2ncnc-2c(-c2ccco2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3275180 0.83 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3268324 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3272888 0.80 CDK5 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3268905 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3270126 0.80 SMPD3 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3269949 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3269060 0.75 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3269056 0.74 SMPD3 (0.35) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3275233 0.72 ADORA2A (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3269153 0.71 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP claimed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US claimed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US claimed
CN-1617871-A Purine derivatives as purinergic receptor antagonists VERNALIS RES LTD (GB) 2005-05-18 CN claimed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US claimed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP claimed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO claimed
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US disclosed
CN-1617871-A Purine derivatives as purinergic receptor antagonists VERNALIS RES LTD (GB) 2005-05-18 CN disclosed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 KDM4E 3528/4885ALDH1A1 1881/4885HPGD 2755/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 KDM4E 3709/4885ALDH1A1 1719/4885HPGD 1945/4885

“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.