SCHEMBL22454501

SCHEMBL22454501

COc1ccc(COc2ccc(F)cc2C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
MAOA P21397 3/20 0.58
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL14680143 0.86 MAOB (0.57) MAOBMAOAFFAR1MTNR1AMTNR1B
SCHEMBL6450178 0.85 LRRK2 (0.60) MAOBMEN1KMT2ALMNA
SCHEMBL29707531 0.85 LRRK2 (0.60) MAOBMEN1KMT2ALMNA
SCHEMBL22454497 0.84 FFAR4 (0.45) MAOBMAOAFFAR1FFAR4MTNR1A
SCHEMBL29684452 0.84 FFAR4 (0.45) MAOBMAOAFFAR1FFAR4MTNR1A
SCHEMBL31658724 0.83 SMN1; SMN2 (0.57) MAOBMEN1KMT2ALMNAHTT
SCHEMBL4938231 0.83 SMN1; SMN2 (0.57) MAOBMEN1KMT2ALMNAHTT
SCHEMBL14680155 0.82 MAOB (0.56) MAOBMAOAMEN1KMT2AMTNR1A
SCHEMBL2477376 0.81 FFAR4 (0.73) MAOBMAOAFFAR1FFAR4MEN1
SCHEMBL8888358 0.81 LRRK2 (0.63) MAOBMTNR1AMTNR1BHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028352-A1 MACROCYCLIC IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SUZHOU LANGRUI BIOPHARMACEUTICAL CO LTD (CN) 2026-01-29 US disclosed
EP-4585598-A1 MACROCYCLIC IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Langrui Biopharmaceutical Co., Ltd. (CN) 2025-07-16 EP disclosed
EP-3932923-B1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR UNIV CENTRAL CHINA NORMAL (CN) 2023-05-03 EP disclosed
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
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 (2 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 MAOB 3217/4885MAOA 3218/4885FFAR1 451/4885
US-20260028352-A1 MACROCYCLIC IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF WEE2, WEE1, ROR1 MAOB 3142/4885MAOA 3991/4885FFAR1 96/4885

“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.