SCHEMBL19337070

SCHEMBL19337070

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ccc(=O)c3ccccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.43
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
KDR P35968 2/20 0.41
PTK2 Q05397 1/20 0.38
MKNK2 Q9HBH9 3/20 0.38
MKNK1 Q9BUB5 2/20 0.38
ROCK1 Q13464 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL19089467 0.90 KDR (0.44) EGFRKDRPTK2ROCK1
SCHEMBL18586191 0.90 KDR (0.43) EGFRKDRPTK2MKNK2MKNK1
SCHEMBL30930115 0.90 KDR (0.43) EGFRKDRPTK2MKNK2MKNK1
SCHEMBL30467909 0.87 EGFR (0.54) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19337104 0.87 EGFR (0.54) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19337068 0.86 EGFR (0.56) EGFRPDE4DKDR
SCHEMBL19707904 0.85 EGFR (0.43) EGFRKDRMKNK2MKNK1
SCHEMBL19089682 0.85 ROCK1 (0.51) EGFRKDRROCK1
SCHEMBL19337191 0.85 EGFR (0.43) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL20610525 0.85 EGFR (0.46) EGFRKDRPTK2MKNK2MKNK1

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 4 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
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 1/4885PDE5A 2862/4885PDE4A 2824/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885PDE5A 3235/4885PDE4A 2704/4885

“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.