SCHEMBL13765765

SCHEMBL13765765

Clc1ccc(-c2nc(Sc3nc[nH]n3)nc3[nH]cnc23)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CRHR1 P34998 11/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALPL P05186 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4094400 0.82 HSP90AB1 (0.55) DPP4DPP8HSP90AB1CRHR1KDM4E
SCHEMBL4089680 0.78 DPP4 (0.46) DPP4DPP8HSP90AB1CRHR1MAPT
SCHEMBL4097131 0.75 CRHR1 (0.43) DPP4DPP8HSP90AB1CRHR1ALPL
SCHEMBL13765767 0.75 CRHR1 (0.39) DPP4DPP8HSP90AB1CRHR1MAPT
SCHEMBL13765766 0.73 TSHR (0.50) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL13765768 0.72 HSP90AB1 (0.68) DPP4DPP8HSP90AB1CRHR1MAPT
SCHEMBL13765764 0.72 HSP90AB1 (0.47) HSP90AB1MAPTHPGDCNR1CNR2
SCHEMBL13765774 0.71 DPP4 (0.40) DPP4DPP8HSP90AB1CRHR1MAPT
SCHEMBL13765775 0.71 DPP4 (0.40) DPP4DPP8HSP90AB1CRHR1
SCHEMBL13765770 0.70 CNR1 (0.39) DPP4DPP8HSP90AB1CRHR1CNR1

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 3 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
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 DPP4 4851/4885DPP8 4781/4885HSP90AB1 2/4885

“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.