SCHEMBL20533803

SCHEMBL20533803

CC(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.61
▸ ADORA3 P0DMS8 7/20 0.44
▸ ADORA1 P30542 7/20 0.44
▸ FLT3 P36888 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ TSPO P30536 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL29665008 1.00 YTHDC1 (0.61) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL18588088 0.85 NPC1 (0.54) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL20533712 0.83 YTHDC1 (0.59) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL29664969 0.83 YTHDC1 (0.59) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL17902901 0.83 YTHDC1 (0.79) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL20533808 0.81 YTHDC1 (0.67) YTHDC1ADORA3ADORA1FLT3ADORA2A
SCHEMBL29664968 0.81 YTHDC1 (0.67) YTHDC1ADORA3ADORA1FLT3ADORA2A
SCHEMBL29664960 0.80 YTHDC1 (0.59) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL18587976 0.80 YTHDC1 (0.59) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL19010862 0.79 YTHDC1 (0.73) YTHDC1ADORA3ADORA1FLT3ADORA2A

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
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-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 — — US 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS XPA, ERCC4, UNG YTHDC1 459/4885ADORA3 30/4885ADORA1 35/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG YTHDC1 398/4885ADORA3 27/4885ADORA1 30/4885

“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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