SCHEMBL3272905

SCHEMBL3272905

Nc1nc(Cl)c2ncn(C(=O)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HSP90AA1 P07900 8/20 0.44
▸ HSP90AB1 P08238 8/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL4797785 0.88 HDAC6 (0.47) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL4799051 0.87 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3269020 0.80 ADORA2A (0.43) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3268049 0.80 ADORA2A (0.65) HDAC6HDAC1HDAC4ADORA2AADORA1
SCHEMBL12072478 0.79 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3273456 0.79 ADORA2A (0.50) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3269601 0.79 HDAC6 (0.44) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL9663203 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL2153079 0.78 HDAC6 (0.56) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL17040218 0.77 HSP90AB1 (0.47) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997429-B Method for preparing Beciclovir 广州粤美医药科技有限公司 2020-10-30 — — CN disclosed
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-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 — — US disclosed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 — — US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 — — EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 — — WO disclosed
WO-1993007881-A1 INHIBITION OF VIRUSES BY THE ADMINISTRATION OF HOMOPOLYRIBONUCLEOTIDES AND/OR DUPLEX POLYMERS UNIVERSITY OF UTAH (US) 1993-04-29 — — 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 (2 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 HDAC6 3406/4885HDAC1 3044/4885HDAC4 2737/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 HDAC6 2987/4885HDAC1 2681/4885HDAC4 2490/4885

“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.

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