SCHEMBL23917192

SCHEMBL23917192

Nc1cc(-c2n[nH]c3ncnc(N)c23)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
PIK3CD O00329 16/20 0.36
PIK3CA P42336 15/20 0.36
PIK3CB P42338 15/20 0.36
PIK3CG P48736 15/20 0.36
PRKDC P78527 15/20 0.36
MTOR P42345 7/20 0.36
ABL1 P00519 7/20 0.36
SRC P12931 7/20 0.36
EGFR P00533 6/20 0.36
HCK P08631 6/20 0.36
KDR P35968 6/20 0.36
EPHB4 P54760 5/20 0.36
BTK Q06187 1/20 0.35
SGK1 O00141 1/20 0.35
MEN1 O00255 1/20 0.35
DYRK3 O43781 1/20 0.35
EIF4E P06730 1/20 0.35
EIF2AK2 P19525 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL16655157 0.86 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20093476 0.84 VRK1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11975 0.81 PIK3CB (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL9010 0.78 PIK3CG (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16065725 0.76 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11928101 0.75 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11306 0.75 SRC (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10811 0.75 SRC (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10855 0.74 MAP4K4 (0.49) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16665741 0.74 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 MAP4K4 693/4885PIK3CD 2/4885PIK3CA 6/4885

“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.