SCHEMBL25139919

SCHEMBL25139919

C=CC(=O)Nc1cc(N2CCN(N3CCCC3)CC2)c(F)cc1Nc1ncc(C#N)c(Nc2ccccc2OC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 2/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ MAPK3 P27361 12/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL30044401 0.93 PKMYT1 (0.51) PKMYT1JAK3EGFRALKSLC2A1
SCHEMBL23606377 0.93 PKMYT1 (0.51) PKMYT1JAK3EGFRALKSLC2A1
SCHEMBL30045155 0.91 JAK3 (0.45) PKMYT1JAK3MAPK3EGFR
SCHEMBL23606386 0.91 JAK3 (0.45) PKMYT1JAK3MAPK3EGFR
SCHEMBL23606378 0.91 PLK1 (0.50) JAK3MAPK3EGFRALK
SCHEMBL30044353 0.91 PLK1 (0.50) JAK3MAPK3EGFRALK
SCHEMBL25139867 0.90 PLK1 (0.49) JAK3MAPK3EGFRALK
SCHEMBL30044157 0.89 PLK1 (0.50) MAPK3EGFR
SCHEMBL25140005 0.89 PLK1 (0.50) MAPK3EGFR
SCHEMBL25139843 0.87 ALK (0.50) PKMYT1JAK3MAPK3EGFRALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-04-20 — — 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-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF FGFR4, FGFR1, WEE1 PKMYT1 326/4885JAK3 372/4885MAPK3 809/4885

“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.

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