SCHEMBL16655896

SCHEMBL16655896

Nc1ncnc2c1c(-c1cc3cc(F)cc(O)c3[nH]1)cn2C1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.49
BTK Q06187 8/20 0.49
SRC P12931 7/20 0.44
RIPK2 O43353 2/20 0.44
EGFR P00533 7/20 0.44
ABL1 P00519 6/20 0.44
ABL2 P42684 6/20 0.44
FGR P09769 1/20 0.44
EPHA1 P21709 1/20 0.44
TXK P42681 1/20 0.44
FRK P42685 1/20 0.44
PTK6 Q13882 1/20 0.44
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
NPM1 P06748 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43

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
SCHEMBL16655726 0.94 PIK3CD (0.52) PIK3CDBTKSRCRIPK2EGFR
SCHEMBL16655766 0.85 PIK3CD (0.50) PIK3CDBTKSRCRIPK2EGFR
SCHEMBL16655753 0.85 PIK3CD (0.50) PIK3CDBTKSRCRIPK2EGFR
SCHEMBL16655788 0.84 PIK3CD (0.65) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655549 0.82 RET (0.61) SRCRIPK2EGFRABL1ABL2
SCHEMBL16655905 0.80 PIK3CD (0.68) PIK3CDBTKRETKDRATR
SCHEMBL16655701 0.79 PIK3CD (0.49) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655448 0.79 PIK3CD (0.49) PIK3CDBTKSRCEGFRABL1
SCHEMBL16655471 0.79 PIK3CD (0.66) PIK3CDBTKSRCRIPK2EGFR
SCHEMBL31060265 0.79 PIK3CD (0.66) PIK3CDBTKSRCRIPK2EGFR

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
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US 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.