SCHEMBL25290141

SCHEMBL25290141

FC(F)(F)c1ccc(-c2nc(C3CN(C(c4ccccc4)c4ccccc4)C3)no2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
CASP3 P42574 2/20 0.39
POLB P06746 2/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PLAT P00750 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CNR2 P34972 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL30488782 1.00 CPT2 (0.48) CPT2CPT1ACASP3POLBSENP7
SCHEMBL25255606 0.76 CPT2 (0.46) CPT2CPT1ACASP3POLBSENP7
SCHEMBL29497022 0.76 CPT2 (0.46) CPT2CPT1ACASP3POLBSENP7
SCHEMBL30700470 0.69 CPT2 (0.49) CPT2CPT1APOLBKMT2ATSHR
SCHEMBL23149068 0.69 GRM5 (0.45) CASP3POLBSENP7SENP6TSHR
SCHEMBL25254795 0.69 NPSR1 (0.32) CPT1AKMT2AMEN1LMNAHTT
SCHEMBL25297083 0.67 CPT2 (0.46) CPT2CPT1ACASP3POLBKMT2A
SCHEMBL29496965 0.67 CPT2 (0.46) CPT2CPT1ACASP3POLBKMT2A
SCHEMBL12224331 0.66 LMNA (0.56) CPT2CPT1ACASP3LMNA
SCHEMBL12197778 0.66 CASP3 (0.46) CPT2CPT1ACASP3POLBCNR2

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY CPT2 3169/4885CPT1A 2082/4885CASP3 1550/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CPT2 3169/4885CPT1A 2082/4885CASP3 1550/4885

“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.