SCHEMBL23742855

SCHEMBL23742855

Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP3A4 P08684 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ NQO2 P16083 3/20 0.43
▸ CCR1 P32246 2/20 0.42
▸ CCR8 P51685 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL30515404 1.00 HTT (0.53) HTTCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL13286604 0.83 DHFR (0.53) HTTCYP3A4LMNACCR1CCR8
SCHEMBL30022928 0.83 DHFR (0.53) HTTCYP3A4LMNACCR1CCR8
SCHEMBL12553474 0.82 NPC1 (0.50) HTTCYP3A4LMNACCR1CCR8
SCHEMBL30185055 0.81 L3MBTL1 (0.54) HTTCYP3A4LMNACCR1CCR8
SCHEMBL30185058 0.81 L3MBTL1 (0.54) HTTCYP3A4LMNACCR1CCR8
SCHEMBL166826 0.81 L3MBTL1 (0.54) HTTCYP3A4LMNACCR1CCR8
SCHEMBL29390114 0.81 L3MBTL1 (0.54) HTTCYP3A4LMNACCR1CCR8
SCHEMBL912017 0.80 CCR1 (0.53) HTTCYP3A4LMNANQO2CCR1
SCHEMBL31036114 0.80 CCR1 (0.53) HTTCYP3A4LMNANQO2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420990-B2 Ruthenium complex containing alkynyl group, method of synthesizing the same and use thereof GUANGDONG PHARMACEUTICAL UNIVERSITY (CN) 2022-08-23 — — US disclosed
US-20210246154-A1 RUTHENIUM COMPLEX CONTAINING ALKYNYL GROUP, METHOD OF SYNTHESIZING THE SAME AND USE THEREOF GUANGDONG PHARMACEUTICAL UNIVERSITY (CN) 2021-08-12 — — 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-20210246154-A1 RUTHENIUM COMPLEX CONTAINING ALKYNYL GROUP, METHOD OF SYNTHESIZING THE SAME AND USE THEREOF HRH1, SLC7A5, SLC43A1 HTT 4783/4885CYP1A2 1488/4885CYP2C19 1925/4885
US-11420990-B2 Ruthenium complex containing alkynyl group, method of synthesizing the same and use thereof HRH1, SLC7A5, SLC43A1 HTT 4783/4885CYP1A2 1488/4885CYP2C19 1925/4885

“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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