SCHEMBL20547436

SCHEMBL20547436

COc1cc(CNc2nc(Cl)nc3c2ncn3C2CCCO2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.55
▸ ADORA3 P0DMS8 11/20 0.51
▸ ADORA2A P29274 10/20 0.51
▸ ADORA1 P30542 6/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CCNE2 O96020 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46

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
SCHEMBL29659573 1.00 YTHDC1 (0.55) YTHDC1ADORA3ADORA2AADORA1NPC1
SCHEMBL30410412 0.90 ADORA3 (0.49) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL29659686 0.89 ADORA3 (0.48) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL20547422 0.89 ADORA3 (0.48) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL2002143 0.88 NPC1 (0.64) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410491 0.88 NPC1 (0.52) YTHDC1ADORA3ADORA2AADORA1NPC1
SCHEMBL20547622 0.86 CCNE2 (0.63) YTHDC1ADORA3ADORA2AADORA1NPC1
SCHEMBL30410761 0.85 ADORA3 (0.51) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL20547488 0.85 YTHDC1 (0.60) YTHDC1ADORA3ADORA2AADORA1NPC1
SCHEMBL20547189 0.84 ADORA3 (0.57) YTHDC1ADORA3ADORA2AADORA1NPC1

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-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-05-09 — — US disclosed
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 — — EP disclosed
US-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-21 — — US disclosed
EP-3615535-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS Univerzita Palackého v Olomouci (CZ) 2020-03-04 — — EP disclosed
WO-2018196893-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-11-01 — — 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-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS ADORA2A, UNG, P2RY6 YTHDC1 1391/4885ADORA3 9/4885ADORA2A 1/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 YTHDC1 1391/4885ADORA3 9/4885ADORA2A 1/4885

“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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