SCHEMBL22394064

SCHEMBL22394064

CCC1C2CC2C(CO)N1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.44
GAA P10253 7/20 0.33
GBA1 P04062 2/20 0.32
GBA2 Q9HCG7 7/20 0.32
UGCG Q16739 3/20 0.32
SI P14410 2/20 0.32
AGL P35573 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18608759 1.00 MGAM (0.44) MGAMGAAGBA1GBA2UGCG
SCHEMBL25478397 0.77
SCHEMBL18608155 0.74
SCHEMBL11572899 0.68
SCHEMBL15593200 0.64 MGAM (0.94) MGAMGAAGBA1GBA2UGCG
SCHEMBL19557626 0.64 MGAM (0.94) MGAMGAAGBA1GBA2UGCG
SCHEMBL2431527 0.64 MGAM (0.94) MGAMGAAGBA1GBA2UGCG
SCHEMBL16612897 0.64 GBA1 (0.35) MGAMGAAGBA1GBA2UGCG
SCHEMBL22298937 0.62 MGAM (0.43) MGAMGAAGBA1
SCHEMBL2439599 0.62 MGAM (1.00) MGAMGAAGBA1GBA2UGCG

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-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 US disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 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 (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-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MGAM 4329/4885GAA 1324/4885GBA1 2025/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MGAM 4329/4885GAA 1324/4885GBA1 2025/4885

“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.