SCHEMBL3274897

SCHEMBL3274897

O=C(NC1CCCCC1)n1cnc2c(-c3ccco3)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.51
ADORA1 P30542 16/20 0.51
ADORA3 P0DMS8 3/20 0.49
ADORA2B P29275 2/20 0.49
PTPN7 P35236 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CASP7 P55210 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL3273480 0.88 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3267606 0.81 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3268990 0.76 CCNE1 (0.45) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL3269811 0.73 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3274495 0.73 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3270103 0.72 HDAC6 (0.41) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3272428 0.69 ADORA2A (0.80) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3273422 0.69 ADORA2A (0.83) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3270149 0.69 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3269038 0.68 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2B

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
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-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US 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

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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 ADORA2A 14/4885ADORA1 17/4885ADORA3 20/4885

“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.