SCHEMBL20547431

SCHEMBL20547431

CN(C)c1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ YTHDC1 Q96MU7 1/20 0.45
▸ CDK1 P06493 3/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL29659742 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL20547186 0.97 NPC1 (0.52) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL29659624 0.97 NPC1 (0.52) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL20547205 0.92 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL20547207 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL20547519 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL29659620 0.87 YTHDC1 (0.51) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL20547532 0.87 YTHDC1 (0.51) SMN1; SMN2NPC1RAB9AYTHDC1CDK1
SCHEMBL30675139 0.87 CCNE1 (0.53) CDK1CCNB2CCNB1CCNB3FLT3
SCHEMBL20547474 0.86 FLT3 (0.49) SMN1; SMN2NPC1RAB9AYTHDC1CDK1

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

“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.

Send feedback