SCHEMBL22692848

SCHEMBL22692848

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4F)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.47
NUDT14 O95848 2/20 0.46
NUDT5 Q9UKK9 2/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
PRKDC P78527 2/20 0.46
BTK Q06187 8/20 0.45
TNK2 Q07912 2/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP4K4 O95819 1/20 0.42
LCK P06239 3/20 0.40
KDR P35968 2/20 0.40
TEK Q02763 2/20 0.40
PARP10 Q53GL7 1/20 0.39
LYN P07948 1/20 0.38

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
SCHEMBL30415900 1.00 FYN (0.47) FYNNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL17626654 0.86 NUDT14 (0.48) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL22692856 0.86 ERBB2 (0.50) FYNNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL17911471 0.85 TNK2 (0.47) FYNNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL200349 0.85 NUDT14 (0.62) FYNNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL22243273 0.84 PIK3CD (0.41) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29439185 0.84 NUDT14 (0.61) FYNNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL14617841 0.80 BTK (0.52) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL18235468 0.79 KDR (0.49) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12713498 0.79 PIK3CD (0.50) FYNNUDT14NUDT5PIK3CDPIK3CA

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 FYN 2/4885NUDT14 4860/4885NUDT5 4862/4885

“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.