SCHEMBL18587097

SCHEMBL18587097

Clc1nc(NCc2ccc(Br)s2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.58
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ADORA3 P0DMS8 6/20 0.45
▸ ADORA2A P29274 6/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ FLT3 P36888 3/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ BLM P54132 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
SCHEMBL29665011 1.00 YTHDC1 (0.58) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29664973 0.90 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL18587546 0.90 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL18587088 0.89 YTHDC1 (0.61) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29664971 0.89 YTHDC1 (0.61) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL18587951 0.85 NPC1 (0.64) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29664962 0.85 NPC1 (0.64) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL29664961 0.84 YTHDC1 (0.59) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL18587965 0.84 YTHDC1 (0.59) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20547426 0.82 NPC1 (0.68) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3

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 8 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

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 459/4885NPC1 3189/4885RAB9A 252/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG YTHDC1 398/4885NPC1 3283/4885RAB9A 237/4885

“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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