SCHEMBL3269031

SCHEMBL3269031

Nc1nc2ncnc-2c(-c2ccc(Cl)s2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM1A O60341 1/20 0.31
CYP2A6 P11509 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL3273070 0.75 CDK5 (0.48) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3274181 0.72 IDO1 (0.35)
6-Chloroguanine SCHEMBL3268234 0.71 MMP12 (0.33)
SCHEMBL3275293 0.68 CYP3A4 (0.40) MEN1ALDH1A1KMT2ACYP2A6
2,6-Diaminopurine SCHEMBL2316818 0.67 KDM4E (0.32) ALDH1A1
SCHEMBL3272888 0.67 CDK5 (0.49) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3273300 0.66 CCR1 (0.42) CYP2A6
SCHEMBL3269217 0.66 ADORA2A (0.35) ALDH1A1MAPTL3MBTL1
SCHEMBL3268785 0.65 KDM4E (0.38) MEN1ALDH1A1MAPTKMT2ASIGMAR1
SCHEMBL3269477 0.64 L3MBTL1 (0.35) L3MBTL1

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 7 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 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 PDGFRB 1165/4885PDGFRA 1105/4885MEN1 4880/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 PDGFRB 991/4885PDGFRA 910/4885MEN1 4884/4885

“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.