SCHEMBL25529240

SCHEMBL25529240

COC(=O)c1c2n(c(C)cc1=O)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNK3 O14649 8/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9536389 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL10338831 0.77 ALDH1A1 (0.65) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL25529239 0.75 MAPK1 (0.43) ALDH1A1MAPK1POLBSMN1; SMN2TSHR
SCHEMBL25529231 0.74 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2MAPTTSHR
SCHEMBL17297923 0.73 MYC (0.38) KCNK3ALOX15
SCHEMBL17297805 0.70 CNR2 (0.35) KCNK3KDM4E
SCHEMBL27218042 0.69 MAPK1 (0.41) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL27218084 0.69 MAPK1 (0.40) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL31180529 0.68 NR1H2 (0.47) ALDH1A1MAPK1SMN1; SMN2MAPTTSHR
SCHEMBL25529232 0.67 SMN1; SMN2 (0.44) ALDH1A1POLBSMN1; SMN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440951-A Pyridone compounds and methods of use 埃克塞里艾克西斯公司 2024-01-23 CN disclosed
EP-4294804-A1 PYRIDONE COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-12-27 EP disclosed
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
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP disclosed
WO-2022178205-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. (US) 2022-08-25 WO 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 ALDH1A1 3998/4885MAPK1 310/4885POLB 1012/4885

“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.