SCHEMBL25385708

SCHEMBL25385708

COc1c(I)ccnc1NN

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GAK O14976 2/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL24845804 0.83 MAOA (0.33) MAOAGAKRIPK2COQ8ANLK
SCHEMBL28048293 0.78 PTK2 (0.36) MAOANOS3NOS1NOS2GAK
SCHEMBL21713631 0.75 NOS3 (0.34) MAOANOS3NOS1NOS2
SCHEMBL28163267 0.75 NOS2 (0.39) MAOANOS3NOS1NOS2GAK
SCHEMBL30608512 0.74 MAOA (0.37) MAOANOS3NOS1NOS2GAK
SCHEMBL17563549 0.72 MAOA (0.48) MAOANOS3NOS1NOS2GAK
SCHEMBL15918749 0.71 MAOA (0.35) MAOANOS3NOS1NOS2GAK
SCHEMBL15112982 0.71 MAOA (0.35) MAOANOS3NOS1NOS2GAK
SCHEMBL31103860 0.71 LOXL2 (0.31) MAOALOXL2
SCHEMBL741028 0.71 GOT1 (0.33) MAOA

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
US-20250163078-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-05-22 US disclosed
EP-4484433-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-01-01 EP disclosed
CN-116693555-A Imidazopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-09-05 CN disclosed
WO-2023160475-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海赛默罗生物科技有限公司 2023-08-31 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-20250163078-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF CYP4A11, CYP4F11, SLC6A11 MAOA 1410/4885NOS3 3201/4885NOS1 1961/4885

“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.