SCHEMBL20533736

SCHEMBL20533736

CC(Nc1ncnc2c1ncn2C1CCCO1)C1CCCO1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ PI4KA P42356 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ADCY1 Q08828 1/20 0.57
▸ PI4K2B Q8TCG2 1/20 0.57
▸ PI4K2A Q9BTU6 1/20 0.57
▸ PI4KB Q9UBF8 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ YTHDC1 Q96MU7 2/20 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
SCHEMBL29664967 1.00 TP53 (0.57) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL20533808 0.84 YTHDC1 (0.67) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29664968 0.84 YTHDC1 (0.67) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL12894740 0.81 CYP2C19 (0.57) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL9884054 0.81 CYP2C19 (0.57) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL30410547 0.80 CYP2C19 (0.54) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL18588088 0.80 NPC1 (0.54) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL20322942 0.79 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL30679403 0.79 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL18587527 0.79 NPC1 (0.52) TP53CYP2C9NFKB1MAPK1HSD17B10

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 6 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-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 — — US 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 TP53 165/4885CYP2C9 1810/4885NFKB1 1286/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG TP53 190/4885CYP2C9 1522/4885NFKB1 1448/4885

“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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