SCHEMBL20547488

SCHEMBL20547488

Oc1ccc(CNc2nc(Cl)nc3c2ncn3C2CCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.60
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ADORA3 P0DMS8 9/20 0.49
▸ ADORA1 P30542 7/20 0.49
▸ ADORA2A P29274 6/20 0.49
▸ CTSL P07711 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL20547202 0.97 YTHDC1 (0.65) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547426 0.90 NPC1 (0.68) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547189 0.89 ADORA3 (0.57) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL30411160 0.88 NPC1 (0.56) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547622 0.88 CCNE2 (0.63) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29659560 0.87 YTHDC1 (0.68) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547206 0.87 YTHDC1 (0.68) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL1501479 0.87 NPC1 (0.73) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29659561 0.87 NPC1 (0.73) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547489 0.86 YTHDC1 (0.61) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3

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 YTHDC1 1391/4885NPC1 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 YTHDC1 1391/4885NPC1 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.

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