SCHEMBL20547189

SCHEMBL20547189

Oc1cccc(CNc2nc(Cl)nc3c2ncn3C2CCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.57
▸ ADORA2A P29274 9/20 0.57
▸ ADORA1 P30542 7/20 0.57
▸ YTHDC1 Q96MU7 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ PPARD Q03181 2/20 0.53
▸ PPARG P37231 1/20 0.51

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
SCHEMBL20547489 0.97 YTHDC1 (0.61) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL27809227 0.89 ADORA3 (0.67) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL30409526 0.89 NPC1 (0.55) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL448537 0.89 ADORA3 (0.67) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL20547488 0.89 YTHDC1 (0.60) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL20547426 0.89 NPC1 (0.68) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL29659545 0.87 NPC1 (0.52) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL20547433 0.87 NPC1 (0.52) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL30409810 0.86 NPC1 (0.58) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL2001406 0.86 NPC1 (0.74) ADORA3ADORA2AADORA1NPC1RAB9A

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 4 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
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 ADORA3 9/4885ADORA2A 1/4885ADORA1 7/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 ADORA3 9/4885ADORA2A 1/4885ADORA1 7/4885

“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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