SCHEMBL16655329

SCHEMBL16655329

C=CC(=O)Nc1cccc2c1CCCC2n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.61
PIK3CD O00329 9/20 0.61
EGFR P00533 4/20 0.55
ABL1 P00519 2/20 0.55
HCK P08631 2/20 0.55
SRC P12931 2/20 0.55
KDR P35968 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55
EPHB4 P54760 1/20 0.55
PRKDC P78527 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
ITK Q08881 5/20 0.46
ERBB2 P04626 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44

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
SCHEMBL16655688 0.90 BTK (0.61) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655785 0.88 PIK3CD (0.63) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655338 0.87 PIK3CD (0.61) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655963 0.86 BTK (0.69) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655938 0.85 PIK3CD (0.61) BTKPIK3CDEGFRABL1HCK
SCHEMBL23908599 0.85 PIK3CD (0.72) BTKPIK3CDEGFRABL1HCK
SCHEMBL23908606 0.85 PIK3CD (0.72) BTKPIK3CDEGFRABL1HCK
SCHEMBL23908592 0.84 PIK3CD (0.71) BTKPIK3CDEGFRABL1HCK
SCHEMBL23908587 0.84 PIK3CD (0.71) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655771 0.80 PIK3CD (0.77) BTKPIK3CDEGFRABL1HCK

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 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
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 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 BTK 1/4885PIK3CD 2/4885EGFR 828/4885

“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.