SCHEMBL22654449

SCHEMBL22654449

C[C@@H]1c2cc(F)sc2CCN1C(=O)c1cc(C2CC2)n2nc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.31

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
SCHEMBL22688408 1.00 MGLL (0.31) MGLL
SCHEMBL21236587 0.87 DRD1 (0.35)
SCHEMBL20064963 0.87 DRD1 (0.35)
SCHEMBL21236154 0.84 MGLL (0.34) MGLL
SCHEMBL21236292 0.84 MGLL (0.34) MGLL
SCHEMBL18198502 0.83 TRPC3 (0.41)
SCHEMBL29429523 0.83 TRPC3 (0.41)
SCHEMBL22491949 0.83 TRPC3 (0.41)
SCHEMBL25831597 0.79 KDM4E (0.31) MGLL
SCHEMBL20064955 0.78 HPGD (0.45)

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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 US disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV ACE, ACE2, PTBP1 MGLL 3463/4885

“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.