SCHEMBL30038855

SCHEMBL30038855

CCc1c(N2CCNCC2)c(=O)n2nc(C3=CCCCO3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.57
▸ ACHE P22303 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL25037173 1.00 WRN (0.57) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035209 0.94 WRN (0.51) WRNPOLBL3MBTL1ALDH1A1NPSR1
SCHEMBL30038161 0.94 WRN (0.51) WRNPOLBL3MBTL1ALDH1A1NPSR1
SCHEMBL30037479 0.93 WRN (0.55) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31387154 0.90 WRN (0.60) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037197 0.90 WRN (0.45) WRNPOLBLMNAHSD17B10MEN1
SCHEMBL25037299 0.89 WRN (0.45) WRN
SCHEMBL30984124 0.89 WRN (0.57) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037162 0.89 WRN (0.58) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499884 0.89 WRN (0.61) WRNACHEPOLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360118-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2024-10-31 — — US disclosed
WO-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 — — WO disclosed
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 — — EP disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 — — 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 (1 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-20240360118-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 WRN 1829/4885ACHE 2983/4885POLB 2200/4885

“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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