SCHEMBL16655972

SCHEMBL16655972

Nc1ncnc2c1c(-c1ccc(F)c(O)c1)cn2C1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.61
BTK Q06187 3/20 0.61
RIPK2 O43353 4/20 0.54
SRC P12931 10/20 0.53
ABL1 P00519 9/20 0.53
EGFR P00533 9/20 0.53
ABL2 P42684 7/20 0.53
KDR P35968 4/20 0.53
LCK P06239 2/20 0.53
JAK2 O60674 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
NPM1 P06748 1/20 0.53
CSF1R P07333 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
IGF1R P08069 1/20 0.53
MET P08581 1/20 0.53
ROS1 P08922 1/20 0.53
PDGFRB P09619 1/20 0.53

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
SCHEMBL16654722 0.90 PIK3CD (0.61) PIK3CDBTKRIPK2SRCABL1
SCHEMBL16655745 0.86 SRC (0.69) BTKRIPK2SRCABL1EGFR
SCHEMBL16655320 0.83 PIK3CD (0.61) PIK3CDBTKSRCABL1EGFR
SCHEMBL16654148 0.83 PIK3CD (0.67) PIK3CDBTKRIPK2SRCABL1
SCHEMBL16655609 0.82 PIK3CD (0.89) PIK3CDBTKSRCABL1EGFR
Hydrochloric Acid SCHEMBL23908623 0.82 PIK3CD (0.66) PIK3CDBTKRIPK2SRCABL1
SCHEMBL16655701 0.82 PIK3CD (0.49) PIK3CDBTKSRCABL1EGFR
SCHEMBL16655448 0.82 PIK3CD (0.49) PIK3CDBTKSRCABL1EGFR
SCHEMBL16655704 0.82 PIK3CD (0.66) PIK3CDBTKRIPK2SRCABL1
SCHEMBL16655726 0.81 PIK3CD (0.52) PIK3CDBTKRIPK2SRCABL1

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 1/4885RIPK2 530/4885

“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.