SCHEMBL30590717

SCHEMBL30590717

C=CC(=O)Nc1ccc(Nc2ncc3c(n2)N2CCN=C2C(Oc2ccc(F)cc2F)=C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.45
▸ ITK Q08881 11/20 0.44
▸ BTK Q06187 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CCNH P51946 2/20 0.39
▸ MNAT1 P51948 2/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL26076556 1.00 EGFR (0.45) EGFRITKBTKJAK3CCNA2
Formic Acid SCHEMBL30595871 0.98 EGFR (0.43) EGFRITKBTKJAK3CCNA2
SCHEMBL26074894 0.93 EGFR (0.50) EGFRITKBTKJAK3
SCHEMBL30590720 0.93 EGFR (0.50) EGFRITKBTKJAK3
Formic Acid SCHEMBL30595851 0.91 EGFR (0.48) EGFRITKBTKJAK3
SCHEMBL26075404 0.86 MAPK8 (0.41) JAK3CDK2
SCHEMBL30595902 0.86 MAPK8 (0.41) JAK3CDK2
Formic Acid SCHEMBL25423226 0.84 MAPK8 (0.38) EGFRBTKJAK3CDK2
Formic Acid SCHEMBL29537715 0.84 MAPK8 (0.38) EGFRBTKJAK3CDK2
SCHEMBL26077875 0.82 MAPK14 (0.34) EGFRBTKJAK3CCNA2CDK2

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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 EGFR 58/4885ITK 270/4885BTK 64/4885

“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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