SCHEMBL22345205

SCHEMBL22345205

Clc1nc(Cl)c2ncn(Cc3ccccc3Br)c2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 10/20 0.52
ADORA2A P29274 1/20 0.47
P2RX7 Q99572 2/20 0.45
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PDE8A O60658 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
CNR2 P34972 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
SCHEMBL22345218 0.86 YTHDC1 (0.54) YTHDC1ADORA2AP2RX7CNR2
SCHEMBL30898282 0.84 YTHDC1 (0.72) YTHDC1P2RX7HDAC4HDAC1HDAC6
SCHEMBL30898278 0.81 YTHDC1 (0.68) YTHDC1ADORA2AP2RX7HDAC1HDAC2
SCHEMBL183057 0.81 YTHDC1 (0.68) YTHDC1ADORA2AP2RX7HDAC1HDAC2
SCHEMBL22345214 0.81 YTHDC1 (0.75) YTHDC1ADORA2APDE8AHSP90AA1HSP90AB1
SCHEMBL22345216 0.76 LMNA (0.52) YTHDC1ADORA2AP2RX7
SCHEMBL5465713 0.76 P2RX7 (0.56) YTHDC1ADORA2AP2RX7HDAC4HDAC1
SCHEMBL1578361 0.74 PDE8A (0.51) YTHDC1ADORA2AP2RX7HDAC4HDAC1
SCHEMBL3641506 0.74 HDAC6 (0.55) YTHDC1P2RX7HDAC4HDAC1HDAC6
SCHEMBL5461215 0.73 HDAC6 (0.60) YTHDC1P2RX7HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319694-B2 Heterocyclic nitrogen-containing purine derivatives, pharmaceutical preparations containing these derivatives and their use in neuroprotection UNIVERZITA PALACKEHO (CZ) 2025-06-03 US disclosed
EP-3924353-B1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIV PALACKEHO (CZ) 2024-04-24 EP disclosed
US-20220127269-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIVERZITA PALACKEHO (CZ) 2022-04-28 US disclosed
EP-3924353-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION Univerzita Palackého (CZ) 2021-12-22 EP disclosed
WO-2020164648-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIVERZITA PALACKEHO (CZ) 2020-08-20 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-20220127269-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION NME4, NLN, PNP YTHDC1 2241/4885ADORA2A 12/4885P2RX7 111/4885
US-12319694-B2 Heterocyclic nitrogen-containing purine derivatives, pharmaceutical preparations containing these derivatives and their use in neuroprotection NME4, NLN, PNP YTHDC1 2241/4885ADORA2A 12/4885P2RX7 111/4885

“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.