SCHEMBL16655854

SCHEMBL16655854

CCOc1cc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)ccc1OC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.64
BTK Q06187 12/20 0.64
SRC P12931 7/20 0.60
EGFR P00533 6/20 0.60
ABL1 P00519 5/20 0.60
HCK P08631 5/20 0.60
KDR P35968 5/20 0.60
PIK3CA P42336 5/20 0.60
PIK3CB P42338 5/20 0.60
MTOR P42345 5/20 0.60
PIK3CG P48736 5/20 0.60
EPHB4 P54760 5/20 0.60
PRKDC P78527 5/20 0.60
PI4KB Q9UBF8 5/20 0.60
ATR Q13535 2/20 0.57
LCK P06239 2/20 0.52
CSK P41240 2/20 0.52

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
Hydrochloric Acid SCHEMBL23908607 0.99 PIK3CD (0.63) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655305 0.88 PIK3CD (0.78) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655601 0.83 PIK3CD (0.76) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655475 0.82 PIK3CD (0.84) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655638 0.82 PIK3CD (0.73) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655563 0.81 PIK3CD (0.73) PIK3CDBTKSRCEGFRABL1
SCHEMBL16665737 0.81 PIK3CD (0.60) PIK3CDBTKSRCEGFRABL1
Hydrochloric Acid SCHEMBL23908614 0.81 PIK3CD (0.72) PIK3CDBTKSRCEGFRABL1
SCHEMBL23908634 0.80 PIK3CD (0.76) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655765 0.80 PIK3CD (0.79) PIK3CDBTKSRCEGFRABL1

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 8 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 claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed
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 1/4885SRC 92/4885

“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.