SCHEMBL25035147

SCHEMBL25035147

CCc1c(N2CCNCC2)c(=O)n2nc(N3CCCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.41
▸ IRAK4 Q9NWZ3 12/20 0.35
▸ ADRB1 P08588 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30037944 1.00 WRN (0.41) WRNIRAK4ADRB1GAAKMT2A
SCHEMBL25037130 0.94 WRN (0.44) WRNIRAK4GAAKMT2ASMN1; SMN2
SCHEMBL30038248 0.93 WRN (0.39) WRNIRAK4P2RX3
SCHEMBL25037043 0.93 WRN (0.39) WRNIRAK4P2RX3
SCHEMBL31387138 0.90 WRN (0.42) WRNIRAK4P2RX3
SCHEMBL25035163 0.89 WRN (0.39) WRNIRAK4
SCHEMBL30038368 0.88 WRN (0.43) WRNKMT2AP2RX3SMN1; SMN2
SCHEMBL25036744 0.88 WRN (0.43) WRNKMT2AP2RX3SMN1; SMN2
SCHEMBL30037354 0.87 WRN (0.43) WRNGAAKMT2ASMN1; SMN2
SCHEMBL25037179 0.86 WRN (0.47) WRNIRAK4GAAKMT2A

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 1829/4885IRAK4 3095/4885ADRB1 972/4885

“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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