SCHEMBL19337257

SCHEMBL19337257

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2c(=O)n(C3CC3)c3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
EGFR P00533 8/20 0.38
MKNK2 Q9HBH9 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
KDR P35968 2/20 0.36
TTK P33981 2/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
IGF1R P08069 1/20 0.34
ALK Q9UM73 1/20 0.34
PRKDC P78527 2/20 0.34
MTOR P42345 1/20 0.34
CSF1R P07333 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
PLK1 P53350 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
SCHEMBL18387037 0.88 EGFR (0.39) PIK3CAEGFRMKNK2CCNT1CDK9
SCHEMBL19337098 0.86 EGFR (0.41) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL19337165 0.86 EGFR (0.40) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL19337258 0.86 EGFR (0.49) EGFRKDRALKOPRM1
SCHEMBL19337115 0.85 EGFR (0.38) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL19337252 0.84 SIK2 (0.39) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL18386961 0.82 KDR (0.39) PIK3CAEGFRMKNK2CCNT1CDK9
SCHEMBL18386752 0.82 EGFR (0.39) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL18387048 0.82 MKNK1 (0.47) EGFRMKNK2CCNT1CDK9KDR
SCHEMBL17553836 0.82 BMI1 (0.39) EGFRCCNT1CDK9KDRPLK1

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 PIK3CA 65/4885EGFR 1/4885MKNK2 4629/4885

“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.