SCHEMBL22454497

SCHEMBL22454497

COc1ccc(COc2ccc(F)cc2/C(C)=N\O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
MAOB P27338 4/20 0.45
MAOA P21397 1/20 0.43
CCR5 P51681 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ABCB1 P08183 2/20 0.41

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
SCHEMBL29684452 1.00 FFAR4 (0.45) FFAR4FFAR1MAOBMAOACCR5
SCHEMBL22454501 0.84 MAOB (0.58) FFAR4FFAR1MAOBMAOAGAA
SCHEMBL31658727 0.84 NPC1 (0.54) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL31658734 0.81 MAOB (0.42) FFAR1MAOBMAOANPC1RAB9A
SCHEMBL28921334 0.75 MAOB (0.51) FFAR4FFAR1MAOBMAOANPC1
SCHEMBL21513667 0.74 LRRK2 (0.48) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL31658735 0.74 NR3C1 (0.49) FFAR4FFAR1MAOBNPC1RAB9A
SCHEMBL2477376 0.74 FFAR4 (0.73) FFAR4FFAR1MAOBMAOANPC1
SCHEMBL2550366 0.73 FFAR4 (0.49) FFAR4FFAR1MAOBNPC1RAB9A
SCHEMBL31496915 0.72 FFAR1 (0.52) FFAR4FFAR1MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932923-B1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR UNIV CENTRAL CHINA NORMAL (CN) 2023-05-03 EP disclosed
US-20220177477-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR Central China Normal University (CN) 2022-06-09 US disclosed
EP-3932923-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR Central China Normal University (CN) 2022-01-05 EP disclosed
WO-2020187291-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR 华中师范大学 2020-09-24 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-20220177477-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR ITK, TKFC, WEE2 FFAR4 294/4885FFAR1 451/4885MAOB 3217/4885

“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.