SCHEMBL22404975

SCHEMBL22404975

OB(O)c1cnc(Oc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
BTK Q06187 2/20 0.43
F10 P00742 1/20 0.39
ACACB O00763 1/20 0.38
RXRA P19793 7/20 0.38
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
DYRK1A Q13627 4/20 0.38
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NPY5R Q15761 1/20 0.36
MLYCD O95822 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
SCHEMBL30091780 1.00 EGFR (0.43) EGFRBTKF10ACACBRXRA
SCHEMBL30091779 0.83 MGLL (0.53) EGFRBTK
SCHEMBL22400934 0.83 EGFR (0.44) EGFRBTKACACBRXRAGRIN1
SCHEMBL22405034 0.83 MGLL (0.53) EGFRBTK
SCHEMBL30313904 0.83 EGFR (0.44) EGFRBTKACACBRXRAGRIN1
SCHEMBL22404959 0.82 ACACB (0.43) EGFRBTKF10ACACBDYRK1A
SCHEMBL30091809 0.82 ACACB (0.43) EGFRBTKF10ACACBDYRK1A
SCHEMBL22405002 0.81 EGFR (0.43) EGFRBTKF10ACACBRXRA
SCHEMBL22404979 0.81 ENPP2 (0.57) EGFRBTKDYRK1A
SCHEMBL22534775 0.81 MEN1 (0.43) EGFRBTKF10RXRAGRIN1

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-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 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 (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-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK EGFR 403/4885BTK 1/4885F10 2180/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK EGFR 380/4885BTK 1/4885F10 1628/4885

“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.