SCHEMBL25528971

SCHEMBL25528971

COC(=O)CC(=O)Nc1ccnc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
GRM5 P41594 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ANO1 Q5XXA6 2/20 0.41
CTSL P07711 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN13 Q12923 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30174292 1.00 KCNH2 (0.45) KCNH2GRM5MEN1KMT2AANO1
SCHEMBL25528964 0.87 TSHR (0.52) KCNH2GRM5MEN1KMT2AANO1
SCHEMBL30174284 0.87 TSHR (0.52) KCNH2GRM5MEN1KMT2AANO1
SCHEMBL19308461 0.84 MEN1 (0.50) KCNH2GRM5MEN1KMT2AANO1
SCHEMBL25235088 0.83 SMARCA2 (0.54) KCNH2MEN1KMT2A
SCHEMBL18626344 0.83 TSHR (0.54) KCNH2GRM5MEN1KMT2AL3MBTL1
SCHEMBL25528970 0.82 SORT1 (0.48) MEN1KMT2A
SCHEMBL30174182 0.82 SORT1 (0.48) MEN1KMT2A
SCHEMBL19308446 0.80 TP53 (0.51) MEN1KMT2APTPRC
SCHEMBL16305244 0.77 KDM4E (0.47) GRM5MEN1KMT2AL3MBTL1

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-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX KCNH2 3788/4885GRM5 1243/4885MEN1 3817/4885

“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.