SCHEMBL25035212

SCHEMBL25035212

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.49
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30038096 1.00 WRN (0.49) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL31500029 0.94 WRN (0.47) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL30039173 0.94 WRN (0.45) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL31057730 0.93 WRN (0.55) WRNMAPTALDH1A1BACE1P2RX7
SCHEMBL25036809 0.93 WRN (0.55) WRNMAPTALDH1A1BACE1P2RX7
SCHEMBL25037237 0.93 WRN (0.43) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL31499631 0.93 WRN (0.47) WRNMAPTBACE1P2RX7TP53
SCHEMBL30039150 0.92 WRN (0.48) WRNMAPTALDH1A1ENPP2ESR2
SCHEMBL31499590 0.91 WRN (0.53) WRNMAPTALDH1A1BACE1P2RX7
SCHEMBL25036564 0.90 WRN (0.48) WRNMAPTALDH1A1ENPP2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 — — 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 (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-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 WRN 1829/4885MAPT 2519/4885ALDH1A1 2542/4885

“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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