SCHEMBL20547437

SCHEMBL20547437

CNc1nc(NCc2ccc(OC)cc2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.66
▸ CTSL P07711 1/20 0.55
▸ FLT3 P36888 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CCNE2 O96020 5/20 0.52
▸ CCNE1 P24864 5/20 0.52
▸ CDK2 P24941 5/20 0.52
▸ YTHDC1 Q96MU7 1/20 0.49
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 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
SCHEMBL29659598 1.00 TDP1 (0.66) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL29659523 0.97 TDP1 (0.68) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL20547585 0.97 TDP1 (0.68) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL21954488 0.89 NPC1 (0.66) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL29659597 0.89 NPC1 (0.66) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL20547622 0.88 CCNE2 (0.63) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL30409475 0.88 TDP1 (0.59) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL21954487 0.86 CCNE2 (0.60) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL29659588 0.86 CCNE2 (0.60) TDP1CTSLFLT3NPC1RAB9A
SCHEMBL30410714 0.85 TDP1 (0.61) TDP1CTSLFLT3NPC1RAB9A

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 TDP1 31/4885CTSL 1353/4885FLT3 4494/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 TDP1 31/4885CTSL 1353/4885FLT3 4494/4885

“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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