SCHEMBL16655640

SCHEMBL16655640

C=CCOc1cc(-c2nn(C3Cc4ccccc4N(C(=O)C=C)C3)c3ncnc(N)c23)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.55
PIK3CD O00329 5/20 0.55
ATR Q13535 1/20 0.51
ITK Q08881 4/20 0.51
EGFR P00533 10/20 0.50
BMX P51813 4/20 0.48
TEC P42680 3/20 0.48
TXK P42681 2/20 0.48
LYN P07948 2/20 0.48
FGFR2 P21802 2/20 0.48
ERBB2 P04626 2/20 0.48
BLK P51451 2/20 0.48
ERBB4 Q15303 2/20 0.48
RIPK2 O43353 1/20 0.48
NR1I2 O75469 1/20 0.48
SLC22A3 O75751 1/20 0.48
LATS1 O95835 1/20 0.48
NUDT14 O95848 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL16655767 0.95 PIK3CD (0.60) BTKPIK3CDATRITKEGFR
SCHEMBL16665747 0.95 PIK3CD (0.60) BTKPIK3CDATRITKEGFR
SCHEMBL16655725 0.90 BTK (0.59) BTKPIK3CDATRITKEGFR
SCHEMBL16665827 0.90 BTK (0.59) BTKPIK3CDATRITKEGFR
SCHEMBL16655815 0.90 BTK (0.57) BTKITKEGFRBMXTEC
SCHEMBL16655690 0.88 BTK (0.55) BTKPIK3CDITKEGFRBMX
SCHEMBL16655703 0.87 ITK (0.66) BTKPIK3CDITKEGFRFGFR2
SCHEMBL16665820 0.87 ITK (0.66) BTKPIK3CDITKEGFRFGFR2
SCHEMBL16656017 0.87 PIK3CD (0.69) BTKPIK3CDATREGFRABL1
SCHEMBL16655762 0.87 PIK3CD (0.70) BTKPIK3CDATREGFRABL1

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 4 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

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 2/4885ATR 680/4885

“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.