SCHEMBL16655726

SCHEMBL16655726

Nc1ncnc2c1c(-c1cc3cc(F)cc(O)c3[nH]1)cn2C1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.52
BTK Q06187 6/20 0.52
ATR Q13535 4/20 0.44
SRC P12931 5/20 0.43
RIPK2 O43353 2/20 0.43
FGR P09769 1/20 0.43
EPHA1 P21709 1/20 0.43
TXK P42681 1/20 0.43
FRK P42685 1/20 0.43
PTK6 Q13882 1/20 0.43
ABL1 P00519 4/20 0.42
EGFR P00533 4/20 0.42
ABL2 P42684 4/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
NPM1 P06748 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL16655896 0.94 PIK3CD (0.49) PIK3CDBTKATRSRCRIPK2
SCHEMBL16655448 0.86 PIK3CD (0.49) PIK3CDBTKATRSRCFGR
SCHEMBL16655701 0.86 PIK3CD (0.49) PIK3CDBTKATRSRCFGR
SCHEMBL16655905 0.85 PIK3CD (0.68) PIK3CDBTKATRRETKDR
SCHEMBL16655700 0.83 RET (0.56) PIK3CDBTKATRSRCRIPK2
SCHEMBL16655972 0.81 PIK3CD (0.61) PIK3CDBTKSRCRIPK2FGR
SCHEMBL16655788 0.80 PIK3CD (0.65) PIK3CDBTKATRSRCABL1
SCHEMBL16655766 0.79 PIK3CD (0.50) PIK3CDBTKATRSRCRIPK2
SCHEMBL16655753 0.79 PIK3CD (0.50) PIK3CDBTKATRSRCRIPK2
SCHEMBL16665730 0.79 RIPK2 (0.39) PIK3CDSRCRIPK2FGREPHA1

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 3 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

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 1/4885ATR 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.