SCHEMBL16752366

SCHEMBL16752366

Ic1nn(C2CCC3(CC2)OCCO3)c2ncncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ RET P07949 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FER P16591 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL5805110 0.77 RET (0.64) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL29617723 0.77 RET (0.64) CDC7PLK4DYRK3JAK2PRKD3
Bicarbonate SCHEMBL29175930 0.76 JAK2 (0.44) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL29780932 0.70 EGFR (0.42) LCKSRCKDREGFRPIK3CA
SCHEMBL20533361 0.70 RET (0.58) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL29617731 0.70 RET (0.58) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL6687291 0.69 CDC7 (0.33) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL5814029 0.67 JAK2 (0.39) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL5814550 0.67 JAK2 (0.54) CDC7PLK4DYRK3JAK2PRKD3
SCHEMBL29780934 0.67 EGFR (0.37) CDC7PLK4DYRK3JAK2PRKD3

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-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 — — US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 — — US disclosed
EP-2878601-A1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA Riken (JP) 2015-06-03 — — EP 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-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA MCL1, BCOR, RUNX1 CDC7 1554/4885PLK4 4425/4885DYRK3 4463/4885

“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.

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