SCHEMBL5160871

SCHEMBL5160871

C#CCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
YTHDC1 Q96MU7 5/20 0.39
PDE8A O60658 1/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL29601425 1.00 P2RX7 (0.48) P2RX7LMNATP53YTHDC1PDE8A
SCHEMBL3441186 0.84 CDK1 (0.54) PDE8A
SCHEMBL28444699 0.84 YTHDC1 (0.38) P2RX7YTHDC1HDAC4HDAC1HDAC6
SCHEMBL28442794 0.84 HSP90AB1 (0.52) HDAC4HDAC1HDAC6HSP90AA1HSP90AB1
SCHEMBL28454215 0.79 FDPS (0.51) P2RX7LMNAHDAC6
SCHEMBL29444616 0.78 CDK1 (0.51) P2RX7LMNATP53YTHDC1HDAC4
SCHEMBL183244 0.78 CDK1 (0.51) P2RX7LMNATP53YTHDC1HDAC4
SCHEMBL21268677 0.78 SLC29A1 (0.42) HSP90AA1HSP90AB1ADORA2B
SCHEMBL29388400 0.78 SLC29A1 (0.42) HSP90AA1HSP90AB1ADORA2B
SCHEMBL22912741 0.76 SLC29A1 (0.36) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097262-A1 CHEMOPROTEOMIC CAPTURE OF RNA BINDING ACTIVITY IN LIVING CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-05-10 WO claimed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 WO claimed
WO-2024097262-A1 CHEMOPROTEOMIC CAPTURE OF RNA BINDING ACTIVITY IN LIVING CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-05-10 WO disclosed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 WO disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 WO disclosed
CN-108358927-B 1, 4-disubstituted 1,2, 3-triazole nucleoside analogue, and preparation method and application thereof 郑州大学 2020-09-01 CN disclosed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC P2RX7 1162/4885LMNA 3475/4885TP53 538/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 P2RX7 61/4885LMNA 2965/4885TP53 4676/4885

“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.