SCHEMBL29953243

SCHEMBL29953243

OCc1cccc(F)c1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
ENPP2 Q13822 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MPO P05164 3/20 0.33
SLC6A4 P31645 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNN4 O15554 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 2/20 0.33
FFAR1 O14842 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL16687397 1.00 IDO1 (0.36) IDO1GPR84ENPP2TAAR1APOBEC3G
SCHEMBL3789864 0.84 ENPP2 (0.41) ENPP2APOBEC3GPDCD1CD274
SCHEMBL24474343 0.84 TAAR1 (0.36) IDO1GPR84TAAR1MPOSLC6A4
SCHEMBL9938608 0.82 TAAR1 (0.42) IDO1TAAR1MPOSLC6A4MAOB
SCHEMBL146988 0.79 CES2 (0.42) ENPP2CES2CES1
SCHEMBL28513719 0.78 IDO1 (0.34) IDO1ALDH1A1KMT2AMAOB
SCHEMBL28521385 0.77 LIPG (0.33) GPR84TAAR1MPOALDH1A1MEN1
SCHEMBL23685407 0.77 GABRA1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL16687396 0.75 PNMT (0.39) IDO1ENPP2TAAR1APOBEC3GPDCD1
SCHEMBL29092564 0.75 CYP3A4 (0.37) ENPP2APOBEC3GALDH1A1PDCD1CD274

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-112384515-B Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2024-12-10 CN disclosed
CN-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed
CN-117903140-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2024-04-19 CN disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
CN-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed
CN-109923114-B Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2022-11-01 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC IDO1 4847/4885GPR84 1513/4885ENPP2 3352/4885

“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.