SCHEMBL17803975

SCHEMBL17803975

CCn1cnc2c(-c3cn[nH]c3)cn(-c3ccc(OCF)cc3)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 2/20 0.38
▸ ROCK2 O75116 16/20 0.35
▸ MAPT P10636 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL18812267 0.92 GRK2 (0.36) GRK2ROCK2MAPT
SCHEMBL16475038 0.90 GRK2 (0.37) GRK2ROCK2
SCHEMBL18077782 0.86 CHUK (0.35) GRK2ROCK2MAPT
SCHEMBL18812103 0.85 PRKACA (0.35) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL18077761 0.85 AXL (0.36) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL16475015 0.82 GRM5 (0.37) GRK2ROCK2
SCHEMBL18811825 0.81 ROCK2 (0.34) GRK2ROCK2MAPT
SCHEMBL18077781 0.79 ROCK2 (0.33) GRK2ROCK2MAPT
SCHEMBL18077779 0.79 MAT2A (0.37) ROCK2MAPT
SCHEMBL17803746 0.78 GRM5 (0.38) ROCK2

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-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 — — US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 — — 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-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 GRK2 2893/4885ROCK2 1113/4885MAPT 4377/4885

“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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