SCHEMBL23328552

SCHEMBL23328552

C=CC(=O)N1C[C@@H]2CN(C(C)(C)C)C[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
JAK3 P52333 5/20 0.36
BTK Q06187 3/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
BLK P51451 1/20 0.36
TEAD1 P28347 8/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KRAS P01116 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
TEAD3 Q99594 1/20 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
SCHEMBL21707132 1.00 ATM (0.38) ATMJAK3BTKEGFRERBB2
SCHEMBL22296243 0.79 BTK (0.36) BTKEGFRTEAD1HRH3KRAS
SCHEMBL17773331 0.76 HRH3 (0.38) JAK3TEAD1HRH3KRASTEAD3
SCHEMBL15448172 0.76 CHRNB2 (0.52) ATMHRH3
SCHEMBL26881115 0.76 CHRNB2 (0.52) ATMHRH3
SCHEMBL21393276 0.76 TEAD1 (0.36) JAK3BTKTEAD1KRAS
SCHEMBL21707124 0.75 BTK (0.38) ATMJAK3BTKEGFRTEAD1
SCHEMBL21896128 0.75 ATM (0.50) ATMHRH3
SCHEMBL17813669 0.75 TEAD1 (0.36) JAK3BTKTEAD1KRAS
SCHEMBL23158196 0.75 TEAD1 (0.34) JAK3BTKTEAD1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365196-B2 FGFR inhibitor and application thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-06-21 US disclosed
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 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-11365196-B2 FGFR inhibitor and application thereof FGFR1, FGFR4, FGFR2 ATM 3260/4885JAK3 196/4885BTK 318/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 ATM 2826/4885JAK3 153/4885BTK 319/4885

“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.