SCHEMBL23388239

SCHEMBL23388239

Nc1nc(Cl)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.67
ADORA1 P30542 2/20 0.67
HDAC6 Q9UBN7 5/20 0.61
HDAC1 Q13547 5/20 0.61
HDAC4 P56524 2/20 0.61
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
HSP90AA1 P07900 6/20 0.58
HSP90AB1 P08238 6/20 0.58
HDAC2 Q92769 1/20 0.54
SLC29A1 Q99808 2/20 0.54
CYP1A2 P05177 1/20 0.50

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
SCHEMBL29853379 0.89 MEN1 (0.58) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL946430 0.89 MEN1 (0.58) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL25547980 0.84 HDAC6 (0.69) ADORA2AHDAC6HDAC1HDAC4HSP90AA1
SCHEMBL21977307 0.84 HDAC6 (0.69) ADORA2AHDAC6HDAC1HDAC4HSP90AA1
SCHEMBL25511872 0.84 MEN1 (0.59) ADORA2AADORA1MEN1LMNAKMT2A
SCHEMBL29761011 0.83 HSP90AA1 (0.59) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL23388585 0.83 HSP90AA1 (0.59) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL23388257 0.83 HDAC6 (0.63) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL29761023 0.83 HDAC6 (0.63) ADORA2AADORA1HDAC6HDAC1HDAC4
SCHEMBL29761021 0.83 HDAC6 (0.63) ADORA2AADORA1HDAC6HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606564-B2 Adenosine receptor antagonist compounds ILDONG PHARMACEUTICAL CO., LTD. (KR) 2026-04-21 US disclosed
CN-116425756-B Adenosine receptor antagonist compounds and uses thereof 日东制药株式会社 2025-05-13 CN disclosed
CN-114829363-B Adenosine receptor antagonist compounds 日东制药株式会社 2024-10-01 CN disclosed
CN-116425756-A Adenosine receptor antagonist compounds and uses thereof 日东制药株式会社 2023-07-14 CN disclosed
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US disclosed
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US disclosed
EP-4061817-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-28 EP disclosed
CN-114829363-A Adenosine receptor antagonist compounds 日东制药株式会社 2022-07-29 CN disclosed
WO-2021099838-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDGNG PHARMACEUTICAL CO., LTD. (KR) 2021-05-27 WO disclosed
WO-2021099838-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDGNG PHARMACEUTICAL CO., LTD. (KR) 2021-05-27 WO disclosed
WO-2021099832-A2 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2021-05-27 WO disclosed
WO-2021099832-A2 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2021-05-27 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-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885HDAC6 2027/4885
US-12606564-B2 Adenosine receptor antagonist compounds ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885HDAC6 3287/4885

“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.