SCHEMBL20547190

SCHEMBL20547190

Clc1nc(NCc2ccco2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ADORA3 P0DMS8 5/20 0.51
▸ ADORA2A P29274 4/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ HTT P42858 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
SCHEMBL29659519 1.00 YTHDC1 (0.64) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL18587976 0.97 YTHDC1 (0.59) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL29664960 0.97 YTHDC1 (0.59) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL18587833 0.89 YTHDC1 (0.58) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL30409552 0.89 SMN1; SMN2 (0.54) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL30410457 0.88 SMN1; SMN2 (0.53) YTHDC1SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL29659534 0.88 YTHDC1 (0.55) YTHDC1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL20547188 0.88 YTHDC1 (0.55) YTHDC1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6820915 0.87 ADORA3 (0.57) SMN1; SMN2ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547610 0.87 NPC1 (0.52) YTHDC1SMN1; SMN2NPC1RAB9AADORA3

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 1391/4885SMN1; SMN2 694/4885NPC1 3725/4885
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 1391/4885SMN1; SMN2 694/4885NPC1 3725/4885

“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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