SCHEMBL30545957

SCHEMBL30545957

O=C1NCc2cc(F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.68
CLK4 Q9HAZ1 2/20 0.57
NTRK1 P04629 2/20 0.57
FLT3 P36888 2/20 0.57
GSK3B P49841 2/20 0.57
DAPK3 O43293 1/20 0.57
PIM1 P11309 1/20 0.57
ROCK1 Q13464 1/20 0.57
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
PARP10 Q53GL7 2/20 0.53
PARP1 P09874 1/20 0.53
PARP11 Q9NR21 1/20 0.47
GRM2 Q14416 1/20 0.45
FABP6 P51161 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44
TDP2 O95551 1/20 0.44
NTRK2 Q16620 2/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL164795 1.00 GRM5 (0.68) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL30524061 0.84 PARP1 (0.68) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL9475799 0.84 PARP1 (0.68) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL26523922 0.84 GRM5 (0.51) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL10243599 0.81 PARP10 (0.74) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL794160 0.81 PARP10 (0.74) GRM5PARP10PARP1PARP11FABP6
SCHEMBL34461053 0.79 GRM5 (0.50) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL1888691 0.78 PARP10 (0.60) GRM5GSK3BPARP10PARP1PARP11
SCHEMBL505100 0.78 GRM5 (1.00) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL8163189 0.77 GSK3B (0.75) GRM5CLK4NTRK1FLT3GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
CN-111944012-B Aromatic amine targeting AR and BET protein degradation chimeric compound and application thereof 海创药业股份有限公司 2023-08-29 CN 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN GRM5 4417/4885CLK4 1837/4885NTRK1 2974/4885

“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.