SCHEMBL4094742

SCHEMBL4094742

COc1ccc(Cn2cnc3c(-c4cc(OCc5ccccc5)c(Cl)cc4Cl)nc(Cl)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 9/20 0.48
HPGD P15428 1/20 0.46
CTSL P07711 2/20 0.45
ADORA2A P29274 2/20 0.45
CSF1R P07333 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE8A O60658 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
DAPK1 P53355 1/20 0.41
ADORA1 P30542 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
SCHEMBL4101664 0.84 YTHDC1 (0.47) YTHDC1CTSLADORA2ACYP2C19PDE8A
SCHEMBL4101363 0.84 YTHDC1 (0.47) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL4096821 0.83 YTHDC1 (0.48) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL4095947 0.82 YTHDC1 (0.46) YTHDC1ADORA2APDE8AHSP90AA1HSP90AB1
SCHEMBL23635091 0.80 HPGD (0.59) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL4097355 0.79 YTHDC1 (0.42) YTHDC1ADORA2APDE8AHSP90AA1HSP90AB1
SCHEMBL5462820 0.77 ADORA2A (0.54) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL17262805 0.75 YTHDC1 (0.59) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL29365706 0.73 HPGD (0.67) YTHDC1HPGDCTSLADORA2APDE8A
SCHEMBL18554311 0.73 HPGD (0.67) YTHDC1HPGDCTSLADORA2APDE8A

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 1015/4885HPGD 2673/4885CTSL 4055/4885

“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.