SCHEMBL18587976

SCHEMBL18587976

Clc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.59
▸ ADORA3 P0DMS8 6/20 0.52
▸ ADORA2A P29274 4/20 0.52
▸ ADORA1 P30542 4/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ SLC29A1 Q99808 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
SCHEMBL29664960 1.00 YTHDC1 (0.59) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547190 0.97 YTHDC1 (0.64) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29659519 0.97 YTHDC1 (0.64) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL18587833 0.91 YTHDC1 (0.58) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL30410701 0.89 SMN1; SMN2 (0.50) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29659620 0.88 YTHDC1 (0.51) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547532 0.88 YTHDC1 (0.51) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547474 0.87 FLT3 (0.49) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6820915 0.86 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL20547431 0.86 SMN1; SMN2 (0.48) YTHDC1ADORA3ADORA2AADORA1ADORA2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP claimed
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 — — US claimed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 — — EP claimed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 — — WO 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-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP 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-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 — — 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
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 — — US disclosed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 — — EP disclosed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 — — 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 (4 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS XPA, ERCC4, UNG YTHDC1 459/4885ADORA3 30/4885ADORA2A 9/4885
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 1391/4885ADORA3 9/4885ADORA2A 1/4885
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 1391/4885ADORA3 9/4885ADORA2A 1/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG YTHDC1 398/4885ADORA3 27/4885ADORA2A 8/4885

“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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