SCHEMBL16655157

SCHEMBL16655157

Nc1ncnc2[nH]nc(-c3cc(O)c(F)c(F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.47
BTK Q06187 2/20 0.47
PIK3CA P42336 15/20 0.40
PIK3CB P42338 15/20 0.40
PIK3CG P48736 15/20 0.40
PRKDC P78527 15/20 0.40
ABL1 P00519 14/20 0.40
EGFR P00533 14/20 0.40
HCK P08631 14/20 0.40
SRC P12931 14/20 0.40
KDR P35968 14/20 0.40
MTOR P42345 14/20 0.40
PI4KB Q9UBF8 11/20 0.40
EPHB4 P54760 13/20 0.39
KDM1A O60341 1/20 0.36

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
SCHEMBL20093476 0.87 VRK1 (0.41) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL23917192 0.86 MAP4K4 (0.38) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16665741 0.85 PIK3CD (0.36) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL9010 0.84 PIK3CG (0.54) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL11928101 0.84 PIK3CD (0.56) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16665707 0.84 PIK3CD (0.40) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16665713 0.84 PIK3CD (0.36) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL23917249 0.81 PIK3CD (0.34) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16065725 0.80 PIK3CD (0.53) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL21467053 0.79 PIK3CG (0.52) 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 5 patents. 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
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885BTK 1/4885PIK3CA 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.