SCHEMBL23917239

SCHEMBL23917239

Nc1ncnc2c1c(N1CC(=O)NC1=S)nn2C1CC1C1CCc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.41
PIK3CD O00329 11/20 0.38
BTK Q06187 9/20 0.38
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
LCK P06239 1/20 0.33
RET P07949 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL16655687 0.87 ATR (0.54) ATRPIK3CDBTK
SCHEMBL16655403 0.78 ATR (0.56) ATRPIK3CDBTK
SCHEMBL23917257 0.75 JAK2 (0.47) BTK
SCHEMBL23917547 0.71 PIK3CD (0.45) ATRPIK3CDBTKPIK3CAPIK3CB
SCHEMBL23917242 0.70 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655634 0.62 ATR (0.66) ATRPIK3CDBTKLCKRET
SCHEMBL16655488 0.62 ATR (0.59) ATRPIK3CDBTKPIK3CAPIK3CB
SCHEMBL16655550 0.62 ATR (0.56) ATRPIK3CDBTKPIK3CAPIK3CB
SCHEMBL16655576 0.61 JAK2 (0.55) ATRPIK3CDBTK
SCHEMBL23917267 0.60 PIK3CD (0.51) ATRPIK3CDBTKPIK3CAPIK3CB

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ATR 680/4885PIK3CD 2/4885BTK 1/4885

“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.