SCHEMBL19337104

SCHEMBL19337104

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(C)c3ccccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.54
KDR P35968 2/20 0.41
MKNK2 Q9HBH9 6/20 0.40
MKNK1 Q9BUB5 4/20 0.40
LCK P06239 3/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL30467909 1.00 EGFR (0.54) EGFRKDRMKNK2MKNK1LCK
SCHEMBL19707904 0.89 EGFR (0.43) EGFRKDRMKNK2MKNK1
SCHEMBL28392219 0.89 EGFR (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL20610525 0.89 EGFR (0.46) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19337191 0.89 EGFR (0.43) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL21265492 0.88 CCNT1 (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL30647338 0.88 CCNT1 (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL19337070 0.87 EGFR (0.43) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19089467 0.85 KDR (0.44) EGFRKDR
SCHEMBL30930115 0.85 KDR (0.43) EGFRKDRMKNK2MKNK1CCNT1

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 9 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
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 CN 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 EGFR 1/4885KDR 41/4885MKNK2 4665/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885KDR 39/4885MKNK2 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.