SCHEMBL20547433

SCHEMBL20547433

CN(C)c1nc(NCc2cccc(O)c2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ADORA3 P0DMS8 5/20 0.51
▸ CTSL P07711 1/20 0.44
▸ CDK1 P06493 4/20 0.44
▸ CCNB2 O95067 3/20 0.44
▸ CCNB1 P14635 3/20 0.44
▸ CCNB3 Q8WWL7 3/20 0.44
▸ ADORA2A P29274 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ YTHDC1 Q96MU7 1/20 0.43
▸ CDK2 P24941 2/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42

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
SCHEMBL29659545 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL29659564 0.97 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL20547428 0.97 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL29659622 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL21954485 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL20547189 0.87 ADORA3 (0.57) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30409526 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL29659693 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL20547199 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ADORA3CTSL
SCHEMBL29659641 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ADORA3CTSL

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 NPC1 3725/4885RAB9A 1831/4885SMN1; SMN2 694/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 NPC1 3725/4885RAB9A 1831/4885SMN1; SMN2 694/4885

“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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