SCHEMBL19337098

SCHEMBL19337098

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2c(=O)n(C(C)C)c3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.41
TDP1 Q9NUW8 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDH1 O75874 2/20 0.36
GSK3B P49841 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL20357973 0.92 TDP1 (0.41) EGFRTDP1MKNK1KDRMEN1
SCHEMBL18387037 0.89 EGFR (0.39) EGFRMKNK1MKNK2KDRMEN1
SCHEMBL19337115 0.87 EGFR (0.38) EGFRMKNK1MKNK2KDRMEN1
SCHEMBL19337165 0.87 EGFR (0.40) EGFRMKNK1MKNK2KDRMEN1
SCHEMBL19337257 0.86 PIK3CA (0.41) EGFRMKNK2KDRCCNT1CDK9
SCHEMBL19337048 0.85 EGFR (0.53) EGFRKDR
SCHEMBL19337252 0.85 SIK2 (0.39) EGFRMKNK2KDRCCNT1CDK9
SCHEMBL18386752 0.83 EGFR (0.39) EGFRMKNK1MKNK2KDRCCNT1
SCHEMBL18387048 0.83 MKNK1 (0.47) EGFRMKNK1MKNK2KDRMEN1
SCHEMBL18386961 0.83 KDR (0.39) EGFRMKNK1MKNK2KDRCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 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 (4 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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885TDP1 1060/4885MKNK1 4632/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 EGFR 1/4885TDP1 1733/4885MKNK1 4794/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885TDP1 1187/4885MKNK1 4609/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD EGFR 1/4885TDP1 1060/4885MKNK1 4632/4885

“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.