SCHEMBL29865299

SCHEMBL29865299

c1ncc2cnncc2n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
FGFR4 P22455 1/20 0.31
TDO2 P48775 2/20 0.30

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
SCHEMBL6119198 1.00 EGFR (0.50) EGFRPIK3CDPIK3CAFGFR4TDO2
Phthalazine SCHEMBL8993814 0.75 EGFR (0.83) EGFRPIK3CDPIK3CATDO2
SCHEMBL30392621 0.73 EGFR (0.56) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL8874014 0.72 EGFR (0.58) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL137377 0.72 EGFR (0.60) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL29409337 0.72 EGFR (0.60) EGFRPIK3CDPIK3CAFGFR4TDO2
Hydrochloric Acid SCHEMBL31066682 0.70 EGFR (0.58) EGFRPIK3CDPIK3CAFGFR4TDO2
Hydrochloric Acid SCHEMBL322987 0.70 EGFR (0.58) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL29409356 0.70 EGFR (0.58) EGFRPIK3CDPIK3CATDO2
SCHEMBL88606 0.70 EGFR (0.58) EGFRPIK3CDPIK3CATDO2

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
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 CN disclosed
CN-110740996-B Covalent small molecule DCN1 inhibitors and methods of treatment using the same 密执安大学评议会 2024-01-09 CN disclosed
CN-110603256-B Pyrimidopyrimidinones useful as WEE-1 kinase inhibitors 阿尔麦克探索有限公司 2022-10-28 CN disclosed
US-20220194947-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2022-06-23 US 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-20220194947-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 EGFR 735/4885PIK3CD 246/4885PIK3CA 106/4885

“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.