SCHEMBL16655945

SCHEMBL16655945

Nc1ncnc2c1c(I)nn2C1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.61
BTK Q06187 7/20 0.61
ATR Q13535 2/20 0.60
DYRK3 O43781 2/20 0.53
CDK1 P06493 2/20 0.53
ROS1 P08922 2/20 0.53
RPS6KB1 P23443 2/20 0.53
CDK2 P24941 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
CLK2 P49760 2/20 0.53
IRAK1 P51617 2/20 0.53
CDK5 Q00535 2/20 0.53
DYRK1A Q13627 2/20 0.53
NTRK3 Q16288 2/20 0.53
SLK Q9H2G2 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
JAK2 O60674 2/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 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
SCHEMBL16655473 0.93 PIK3CD (0.54) PIK3CDBTKATRDYRK3CDK1
SCHEMBL16655942 0.85 PIK3CD (0.53) PIK3CDBTKATRDYRK3CDK1
SCHEMBL16655634 0.81 ATR (0.66) PIK3CDBTKATRDYRK3CDK1
SCHEMBL16655386 0.80 PIK3CD (0.77) PIK3CDBTKATRLCKEGFR
SCHEMBL23908617 0.79 DYRK3 (0.48) PIK3CDBTKATRDYRK3CDK1
SCHEMBL16654522 0.79 JAK2 (0.62) PIK3CDBTKATRDYRK3CDK1
SCHEMBL16655953 0.78 PIK3CD (0.84) PIK3CDBTKATRSRCKDR
SCHEMBL16655959 0.77 BTK (0.68) PIK3CDBTKATRLCKSRC
SCHEMBL16655433 0.76 PIK3CD (0.85) PIK3CDBTKATRSRCKDR
SCHEMBL16665816 0.76 PIK3CD (1.00) PIK3CDBTKATRSRCKDR

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 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.