Sugi Predict

Sugi Predict / Compounds / SCHEMBL19337071

SCHEMBL19337071

SCHEMBL19337071

COc1cc(OC2CN(C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.60
▸ MKNK2 Q9HBH9 1/20 0.60
▸ EGFR P00533 18/20 0.58
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ ROS1 P08922 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ MLNR O43193 1/20 0.50

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
SCHEMBL17553829 0.95 EGFR (0.58) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL28841441 0.95 EGFR (0.58) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL17822320 0.91 MKNK1 (0.68) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL30883869 0.91 MKNK1 (0.68) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL19337168 0.86 MKNK2 (0.64) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL19337211 0.86 MKNK1 (0.61) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL14660648 0.86 MKNK1 (0.65) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL14660723 0.86 MKNK2 (0.68) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL17553702 0.86 MKNK1 (0.65) MKNK1MKNK2EGFRHDAC1HDAC3
SCHEMBL32671769 0.86 MKNK1 (0.65) MKNK1MKNK2EGFRHDAC1HDAC3

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 MKNK1 4632/4885MKNK2 4665/4885EGFR 1/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD MKNK1 4609/4885MKNK2 4629/4885EGFR 1/4885

“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.