SCHEMBL25529232

SCHEMBL25529232

COC(=O)c1c2n(cc(Br)c1=O)CCOC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL26967948 0.77 PDE3B (0.32) SMN1; SMN2ALDH1A1HPGDALOX15MGLL
SCHEMBL27218069 0.77 CNR2 (0.33) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25529243 0.77 ALDH1A1 (0.39) CYP1A2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL26967921 0.76 CNR2 (0.35) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25529231 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDALOX15MGLL
SCHEMBL25529239 0.74 MAPK1 (0.43) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25529240 0.67 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDALOX15MGLL
SCHEMBL31352077 0.65 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31352373 0.64 DRD3 (0.49) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL24159195 0.63 F10 (0.36) SMN1; SMN2ALDH1A1POLBMAPT

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
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
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 SMN1; SMN2 1368/4885CYP1A2 3806/4885CYP2D6 2767/4885

“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.