SCHEMBL19337115

SCHEMBL19337115

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.38
KDR P35968 2/20 0.36
IDH1 O75874 2/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MKNK2 Q9HBH9 4/20 0.33
MKNK1 Q9BUB5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IGF1R P08069 1/20 0.33
ALK Q9UM73 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL19337165 0.92 EGFR (0.40) EGFRKDRCCNT1CDK9MKNK2
SCHEMBL19337252 0.90 SIK2 (0.39) EGFRKDRCCNT1CDK9MKNK2
SCHEMBL19337116 0.88 EGFR (0.50) EGFRKDRALK
SCHEMBL18387037 0.88 EGFR (0.39) EGFRKDRCCNT1CDK9MKNK2
SCHEMBL19337098 0.87 EGFR (0.41) EGFRKDRIDH1CCNT1CDK9
SCHEMBL19337257 0.85 PIK3CA (0.41) EGFRKDRCCNT1CDK9MKNK2
SCHEMBL20395919 0.82 CFTR (0.35) EGFRKDRIGF1RALK
SCHEMBL18386752 0.81 EGFR (0.39) EGFRKDRCCNT1CDK9MKNK2
SCHEMBL18387048 0.81 MKNK1 (0.47) EGFRKDRIDH1CCNT1CDK9
SCHEMBL18386961 0.81 KDR (0.39) EGFRKDRCCNT1CDK9MKNK2

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-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 (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-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885KDR 39/4885IDH1 1323/4885

“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.