SCHEMBL29374696

SCHEMBL29374696

Cc1ncc(N2C(=O)C(C)(C)c3c(Br)cccc32)cn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.32
MGLL Q99685 1/20 0.32
OPRM1 P35372 1/20 0.32
MARK3 P27448 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PGR P06401 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
SCHEMBL31591784 0.80 AR (0.45) ELANEMGLLALDH1A1PGR
SCHEMBL21630003 0.80 AR (0.45) ELANEMGLLALDH1A1PGR
SCHEMBL21629976 0.80 AR (0.51) ELANEALDH1A1
SCHEMBL31591806 0.80 AR (0.51) ELANEALDH1A1
SCHEMBL21629966 0.78 MGLL (0.34) ELANEMGLLOPRM1PGR
SCHEMBL31591791 0.78 MGLL (0.34) ELANEMGLLOPRM1PGR
SCHEMBL21630040 0.77 LMNA (0.36) ELANEMGLLOPRM1
SCHEMBL31591921 0.77 LMNA (0.36) ELANEMGLLOPRM1
SCHEMBL21629932 0.76 PGR (0.38) MGLLPGR
SCHEMBL31591807 0.76 PGR (0.38) MGLLPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-05-29 US disclosed
US-20230391778-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
US-20220033395-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-02-03 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 (3 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-20230391778-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ELANE 4029/4885MGLL 4168/4885OPRM1 38/4885
US-20220033395-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ELANE 4029/4885MGLL 4168/4885OPRM1 38/4885
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ELANE 4029/4885MGLL 4168/4885OPRM1 38/4885

“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.