SCHEMBL16655669

SCHEMBL16655669

Nc1ncnc2c1c(-c1cc3ccccc3[nH]1)nn2C1CCc2ccccc2C1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.74
KDR P35968 6/20 0.74
ATR Q13535 7/20 0.69
PIK3CD O00329 4/20 0.60
BTK Q06187 2/20 0.60
SRC P12931 2/20 0.56
ABL1 P00519 1/20 0.56

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
SCHEMBL16655548 0.93 RET (0.78) RETKDRATRPIK3CDBTK
SCHEMBL16655532 0.86 PIK3CD (0.64) RETKDRATRPIK3CDBTK
SCHEMBL16655603 0.86 PIK3CD (0.64) RETKDRATRPIK3CDBTK
SCHEMBL6940447 0.86 RET (0.94) RETKDRPIK3CDBTKSRC
SCHEMBL19463767 0.85 RET (1.00) RETKDRPIK3CDBTKSRC
SCHEMBL30455810 0.85 RET (1.00) RETKDRPIK3CDBTKSRC
SCHEMBL19492187 0.84 RET (0.83) RETKDRPIK3CDSRCABL1
SCHEMBL16655905 0.83 PIK3CD (0.68) RETKDRATRPIK3CDBTK
SCHEMBL16655700 0.83 RET (0.56) RETKDRATRPIK3CDBTK
SCHEMBL16655326 0.83 PIK3CD (0.56) RETKDRATRPIK3CDBTK

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
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 RET 753/4885KDR 858/4885ATR 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.