SCHEMBL21729255

SCHEMBL21729255

CC(C)(C)OC(=O)N1CCC(n2nc(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)c(C(N)O)c2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.49
NR3C1 P04150 1/20 0.43
TEC P42680 8/20 0.42
TXK P42681 8/20 0.42
BMX P51813 8/20 0.42
RORC P51449 1/20 0.40

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
SCHEMBL21729279 0.93 BTK (0.49) BTKTECTXKBMX
SCHEMBL19001745 0.89 BTK (0.63) BTKTECTXKBMX
SCHEMBL19001730 0.87 BTK (0.51) BTKNR3C1TECTXKBMX
SCHEMBL20847966 0.86 BTK (0.60) BTKTECTXKBMX
SCHEMBL19836219 0.85 BTK (0.48) BTKNR3C1TECTXKBMX
SCHEMBL19836029 0.84 BTK (0.61) BTKTECTXKBMX
SCHEMBL21729249 0.83 BTK (0.49) BTKNR3C1TECTXKBMX
SCHEMBL19002022 0.81 BTK (0.55) BTKTECTXKBMX
SCHEMBL19002017 0.81 BTK (0.63) BTKTECTXKBMX
SCHEMBL19002028 0.81 BTK (0.45) BTKTECTXKBMX

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-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-02-20 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-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885NR3C1 593/4885TEC 7/4885

“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.