SCHEMBL24323360

SCHEMBL24323360

O=Cc1ncc(N2CCOCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPT P10636 5/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL15264409 0.82 TRIM24 (0.48) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL3645584 0.77 MAPT (0.58) POLBMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL24323949 0.75 KCNQ2 (0.33) MAPTALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL24323744 0.75 ALDH3A1 (0.44) POLBMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL1735480 0.75 CNR2 (0.55) POLBMAPTCNR2LMNAALDH1A1
SCHEMBL16427595 0.75 CNR2 (0.47) POLBMAPTCNR2LMNAALDH1A1
SCHEMBL12093777 0.75 MAPT (0.51) POLBMAPTPIK3CACNR2LMNA
SCHEMBL2949706 0.75 PIK3CA (0.57) POLBMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL12057439 0.75 CNR2 (0.47) POLBMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL24323225 0.74 ALDH1A1 (0.46) POLBMAPTPIK3CDPIK3CAPIK3CB

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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B POLB 3550/4885MAPT 4859/4885PIK3CD 303/4885

“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.