SCHEMBL22474446

SCHEMBL22474446

Cc1nn(C2CCOCC2)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.43
OGA O60502 1/20 0.39
FLT3 P36888 2/20 0.37
SYK P43405 2/20 0.37
IRAK4 Q9NWZ3 6/20 0.36
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
KCNJ5 P48544 1/20 0.33
SOS1 Q07889 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKB Q96GD4 1/20 0.32
NTRK1 P04629 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
SCHEMBL21238766 0.90 DRD2 (0.35) LRRK2OGADRD2DRD4DRD3
SCHEMBL24923652 0.86 HSP90AA1 (0.37) LRRK2DRD2DRD4DRD3
SCHEMBL24837078 0.85 ALDH1A2 (0.33) LRRK2JAK2NTRK1
SCHEMBL24703895 0.83 LRRK2 (0.35) LRRK2OGAFLT3SYKIRAK4
SCHEMBL17998057 0.83 OGA (0.39) LRRK2OGAFLT3SYKIRAK4
SCHEMBL25556777 0.82 ALOX15 (0.40) LRRK2FLT3SYKDRD2DRD4
SCHEMBL25556775 0.82 CHRNB2 (0.44) JAK2
SCHEMBL18012432 0.81 LRRK2 (0.43) LRRK2OGAFLT3SYKIRAK4
SCHEMBL23996983 0.81 LRRK2 (0.44) LRRK2OGAIRAK4JAK2JAK1
SCHEMBL25556783 0.79 KDM5A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) EMD Serono Research and Development Institute, Inc. 2022-12-08 US disclosed
EP-3253763-B1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-09-30 EP 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-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, SYK, ABL1 LRRK2 465/4885OGA 3411/4885FLT3 11/4885

“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.