SCHEMBL23239685

SCHEMBL23239685

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.75
LCK P06239 9/20 0.75
SRC P12931 7/20 0.75
TEK Q02763 7/20 0.75
KDR P35968 3/20 0.75
NUDT14 O95848 2/20 0.63
NUDT5 Q9UKK9 2/20 0.63
EGFR P00533 4/20 0.57
LYN P07948 2/20 0.57
ERBB2 P04626 2/20 0.57
ITK Q08881 2/20 0.57
ERBB4 Q15303 2/20 0.57
PLK4 O00444 1/20 0.57
DCLK1 O15075 1/20 0.57
PDPK1 O15530 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PAK4 O96013 1/20 0.57
CHEK2 O96017 1/20 0.57
ABL1 P00519 1/20 0.57

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
SCHEMBL23239684 1.00 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL29844235 1.00 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL23217530 1.00 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL5817702 0.92 BTK (0.64) BTKLCKSRCTEKKDR
SCHEMBL5819015 0.89 LCK (0.61) BTKLCKSRCTEKKDR
SCHEMBL5819558 0.87 LCK (0.56) BTKLCKSRCTEKKDR
SCHEMBL6698204 0.86 LCK (0.57) BTKLCKSRCTEKKDR
SCHEMBL6433141 0.86 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL6430567 0.86 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL29763088 0.86 BTK (1.00) BTKLCKSRCTEKKDR

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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 US disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 WO 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK BTK 3/4885LCK 6/4885SRC 9/4885

“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.