SCHEMBL23908617

SCHEMBL23908617

Nc1ncnc2c1c(I)nn2C1CCCc2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.48
CDK1 P06493 2/20 0.48
ROS1 P08922 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CDK2 P24941 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
CLK2 P49760 2/20 0.48
IRAK1 P51617 2/20 0.48
CDK5 Q00535 2/20 0.48
DYRK1A Q13627 2/20 0.48
NTRK3 Q16288 2/20 0.48
SLK Q9H2G2 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
JAK2 O60674 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
NTRK1 P04629 1/20 0.48

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 0.86 PIK3CD (0.54) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16655942 0.85 PIK3CD (0.53) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16655676 0.81 PIK3CD (0.74) SRCKDRPIK3CDBTKATR
SCHEMBL16655945 0.79 PIK3CD (0.61) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16656035 0.77 PIK3CD (0.50) SRCKDRPIK3CDBTKATR
SCHEMBL30558127 0.75 SRC (0.56) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL23908598 0.75 PIK3CD (0.74) SRCKDRPIK3CDBTKATR
SCHEMBL15904781 0.74 BTK (0.51) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16655578 0.73 PIK3CD (0.72) SRCKDRPIK3CDBTKATR
SCHEMBL16655760 0.73 PIK3CD (0.46) SRCKDRPIK3CDBTKATR

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 1 patent. 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

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 DYRK3 439/4885CDK1 160/4885ROS1 130/4885

“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.