SCHEMBL6509992

SCHEMBL6509992

CONc1nc(C)nc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
PIK3CA P42336 6/20 0.43
MTOR P42345 3/20 0.43
PDE2A O00408 2/20 0.42
BRAF P15056 3/20 0.42
MAPT P10636 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL332978 0.82 BRAF (0.60) BRAF
SCHEMBL30523428 0.81 XDH (0.67) XDHPIK3CAMTORPDE2ABRAF
SCHEMBL20565 0.81 XDH (0.67) XDHPIK3CAMTORPDE2ABRAF
SCHEMBL28878261 0.79 XDH (0.47) XDHPIK3CAMTORPDE2ABRAF
SCHEMBL1808629 0.78 ADORA3 (0.42) XDHBRAFMAPTLMNAHTT
SCHEMBL8885460 0.77 XDH (0.45) XDHPIK3CAMTORPDE2ABRAF
SCHEMBL16146881 0.77 ADORA3 (0.50) XDHPIK3CAMTORPDE2AMAPT
SCHEMBL5699092 0.76 HTT (0.60) MAPTLMNAHTT
Hydrochloric Acid SCHEMBL7735734 0.75 ADORA3 (0.49) XDHPIK3CAMTORPDE2AMAPT
SCHEMBL16145784 0.75 ADORA3 (0.61) LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043268-A1 Inhibition of viruses MEDICAL RESEARCH COUNCIL (GB) 2005-02-24 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-20050043268-A1 Inhibition of viruses RNASE1, HNRNPA1, RNASEH1 XDH 1651/4885PIK3CA 2824/4885MTOR 4401/4885

“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.