SCHEMBL4097355

SCHEMBL4097355

COc1ccc(Cn2cnc3c(-c4cc(OCCN5CCCC5=O)c(Cl)cc4Cl)nc(Cl)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 6/20 0.42
ADORA2A P29274 1/20 0.38
IDH1 O75874 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PDE8A O60658 1/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
PDGFRA P16234 1/20 0.36
CCNE2 O96020 1/20 0.35
CNR2 P34972 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NR3C1 P04150 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4095947 0.87 YTHDC1 (0.46) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A
SCHEMBL4101363 0.81 YTHDC1 (0.47) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A
SCHEMBL4101664 0.81 YTHDC1 (0.47) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A
SCHEMBL4094742 0.79 YTHDC1 (0.48) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A
SCHEMBL14567388 0.78 IDH1 (0.41) IDH1CCNE1CDK2CCNE2MTNR1A
SCHEMBL4096821 0.76 YTHDC1 (0.48) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A
SCHEMBL4089765 0.74 IDH1 (0.39) IDH1HSP90AA1HSP90AB1CDK2CTSS
SCHEMBL5462820 0.71 ADORA2A (0.54) YTHDC1ADORA2APDE8ACCNE1CDK2
SCHEMBL14567387 0.70 MEN1 (0.38) IDH1HSP90AA1HSP90AB1CTSSCTSK
SCHEMBL3821565 0.67 YTHDC1 (0.57) YTHDC1ADORA2AHSP90AA1HSP90AB1PDE8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
EP-2004648-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (R&D) Limited (GB) 2008-12-24 EP disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 WO disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 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-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P YTHDC1 1015/4885ADORA2A 1112/4885IDH1 71/4885

“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.