SCHEMBL16655634

SCHEMBL16655634

Nc1ncnc2c1c(I)nn2C1CCc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.66
PIK3CD O00329 11/20 0.60
BTK Q06187 10/20 0.60
CDC7 O00311 1/20 0.59
PLK4 O00444 1/20 0.59
DYRK3 O43781 1/20 0.59
JAK2 O60674 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
NTRK1 P04629 1/20 0.59
INSR P06213 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CDK1 P06493 1/20 0.59
RET P07949 1/20 0.59
ROS1 P08922 1/20 0.59
SRC P12931 1/20 0.59
FER P16591 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59

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
SCHEMBL16654522 0.91 JAK2 (0.62) ATRPIK3CDBTKCDC7PLK4
SCHEMBL20533431 0.81 SRC (0.63) ATRPIK3CDBTKCDC7PLK4
SCHEMBL16655968 0.81 ATR (0.74) ATRPIK3CDBTK
SCHEMBL16655945 0.81 PIK3CD (0.61) ATRPIK3CDBTKCDC7PLK4
SCHEMBL24096480 0.80 JAK2 (0.86) PIK3CDBTKCDC7PLK4DYRK3
SCHEMBL29999054 0.80 JAK2 (0.86) PIK3CDBTKCDC7PLK4DYRK3
SCHEMBL16655772 0.80 ATR (0.59) ATRPIK3CDBTKRET
SCHEMBL16655615 0.80 ATR (0.76) ATRPIK3CDBTKSRCKDR
SCHEMBL16655488 0.80 ATR (0.59) ATRPIK3CDBTK
SCHEMBL16655347 0.80 ATR (0.76) ATRPIK3CDBTK

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 disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP 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 ATR 680/4885PIK3CD 2/4885BTK 1/4885

“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.