SCHEMBL19337252

SCHEMBL19337252

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 1/20 0.39
EGFR P00533 7/20 0.38
KDR P35968 2/20 0.36
MKNK2 Q9HBH9 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
LRRK2 Q5S007 3/20 0.34
DCLK1 O15075 2/20 0.34
MAPK7 Q13164 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
PTK2 Q05397 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 0.91 EGFR (0.40) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL19337115 0.90 EGFR (0.38) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL19707592 0.88 EGFR (0.48) EGFRKDRADORA2A
SCHEMBL18387037 0.87 EGFR (0.39) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL19337098 0.85 EGFR (0.41) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL19337257 0.84 PIK3CA (0.41) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL20395919 0.82 CFTR (0.35) EGFRKDRADORA2AADORA1
SCHEMBL18387048 0.81 MKNK1 (0.47) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL18386752 0.81 EGFR (0.39) EGFRKDRMKNK2CCNT1CDK9
SCHEMBL18386961 0.81 KDR (0.39) EGFRKDRMKNK2CCNT1CDK9

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 SIK2 3362/4885EGFR 1/4885KDR 39/4885

“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.