Sugi Predict

Sugi Predict / Compounds / SCHEMBL19337188

SCHEMBL19337188

SCHEMBL19337188

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.70
▸ MKNK2 Q9HBH9 2/20 0.54
▸ MKNK1 Q9BUB5 1/20 0.54
▸ IGF1R P08069 2/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ DYRK2 Q92630 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ DYRK4 Q9NR20 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ KCNH2 Q12809 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT4 P35916 1/20 0.47

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
SCHEMBL19337084 0.95 EGFR (0.63) EGFRMKNK2MKNK1KCNH2JAK2
SCHEMBL19337010 0.95 EGFR (0.63) EGFRMKNK2MKNK1KCNH2JAK2
SCHEMBL29973838 0.94 EGFR (0.70) EGFRMKNK2MKNK1IGF1RDYRK3
SCHEMBL14663321 0.94 EGFR (0.70) EGFRMKNK2MKNK1IGF1RDYRK3
SCHEMBL19336906 0.91 EGFR (0.58) EGFRMKNK2MKNK1IGF1RKCNH2
SCHEMBL28925199 0.90 EGFR (0.59) EGFRMKNK2MKNK1KCNH2JAK2
SCHEMBL30070623 0.90 EGFR (0.59) EGFRMKNK2MKNK1KCNH2JAK2
SCHEMBL19336999 0.89 EGFR (0.57) EGFRMKNK2MKNK1KCNH2JAK2
SCHEMBL19336981 0.89 EGFR (0.61) EGFRMKNK2MKNK1KCNH2
SCHEMBL19336909 0.89 EGFR (0.57) EGFRMKNK2MKNK1KCNH2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 — — US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 — — US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 — — US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 — — 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 (2 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-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD EGFR 1/4885MKNK2 4665/4885MKNK1 4632/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885MKNK2 4629/4885MKNK1 4609/4885

“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.