SCHEMBL18587527

SCHEMBL18587527

CC(Nc1ncnc2c1ncn2C1CCCO1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ADCY1 Q08828 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50
▸ PI4K2A Q9BTU6 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ YTHDC1 Q96MU7 2/20 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
SCHEMBL29664979 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL20533712 0.86 YTHDC1 (0.59) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL29664969 0.86 YTHDC1 (0.59) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL18588088 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL29664964 0.79 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL18587953 0.79 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL29664967 0.79 TP53 (0.57) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL20533736 0.79 TP53 (0.57) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL14713449 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53CYP2C9
SCHEMBL14713447 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53CYP2C9

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 10 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-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
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
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 (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 NPC1 3189/4885RAB9A 252/4885SMN1; SMN2 3882/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG NPC1 3283/4885RAB9A 237/4885SMN1; SMN2 3861/4885

“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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