SCHEMBL22692820

SCHEMBL22692820

Cn1nc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT14 O95848 2/20 0.75
NUDT5 Q9UKK9 2/20 0.75
PIK3CD O00329 11/20 0.63
PIK3CA P42336 11/20 0.63
PIK3CB P42338 11/20 0.63
PIK3CG P48736 11/20 0.63
PRKDC P78527 11/20 0.63
SRC P12931 10/20 0.60
ABL1 P00519 9/20 0.60
EGFR P00533 9/20 0.60
HCK P08631 9/20 0.60
MTOR P42345 9/20 0.60
EPHB4 P54760 9/20 0.60
KDR P35968 9/20 0.60
FYN P06241 2/20 0.58
BTK Q06187 5/20 0.58
PI4KB Q9UBF8 4/20 0.53
LCK P06239 2/20 0.50
LYN P07948 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL22692814 0.87 NUDT14 (0.72) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL22243276 0.86 NUDT14 (0.67) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130529 0.86 NUDT14 (1.00) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL23917243 0.82 KDM4E (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL24041271 0.81 BTK (0.76) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130752 0.80 NUDT14 (0.74) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL31194646 0.79 NUDT14 (0.64) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL24196897 0.79 BTK (0.65) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL30415747 0.79 BTK (0.65) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL409367 0.79 PIK3CD (0.82) NUDT14NUDT5PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 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 (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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions BTK, FYN, YES1 NUDT14 4860/4885NUDT5 4862/4885PIK3CD 191/4885

“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.