SCHEMBL2377232

SCHEMBL2377232

CC(C)(O)C(C)(C)OB(O)c1cnn(CC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.32
LRRK2 Q5S007 2/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
MTOR P42345 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL455008 0.85 KMT2A (0.30)
SCHEMBL4208996 0.82 L3MBTL1 (0.40)
SCHEMBL2631271 0.81 ACHE (0.41)
SCHEMBL15663128 0.81
SCHEMBL15663094 0.80 IKBKE (0.32) LRRK2
SCHEMBL15663047 0.79 ACACB (0.31)
SCHEMBL4212327 0.79 NAMPT (0.34)
SCHEMBL594119 0.78 L3MBTL1 (0.43)
SCHEMBL15663126 0.77 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL30891 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2025-02-13 US disclosed
EP-4403557-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2024-07-24 EP disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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 (2 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK FFAR1 3978/4885LRRK2 1910/4885PIK3CD 195/4885
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods RIPK1, RIPK3, RIPK4 FFAR1 2499/4885LRRK2 39/4885PIK3CD 1643/4885

“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.