SCHEMBL21729249

SCHEMBL21729249

CC(C)(C)OC(=O)N1CCCC(n2nc(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)c(C#N)c2N)CCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.49
TEC P42680 9/20 0.42
TXK P42681 9/20 0.42
BMX P51813 9/20 0.42
NR3C1 P04150 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
SCHEMBL19836219 0.99 BTK (0.48) BTKTECTXKBMXNR3C1
SCHEMBL19001730 0.96 BTK (0.51) BTKTECTXKBMXNR3C1
SCHEMBL20468662 0.93 BTK (0.47) BTKTECTXKBMX
SCHEMBL20468707 0.92 BTK (0.52) BTKTECTXKBMX
SCHEMBL19836243 0.91 BTK (0.46) BTKTECTXKBMX
SCHEMBL19002006 0.91 BTK (0.52) BTKTECTXKBMX
SCHEMBL20847962 0.91 BTK (0.53) BTKTECTXKBMX
SCHEMBL20468785 0.90 BTK (0.52) BTKTECTXKBMX
SCHEMBL19002029 0.90 BTK (0.52) BTKTECTXKBMX
SCHEMBL19836448 0.90 BTK (0.52) 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 1/4885TEC 7/4885TXK 263/4885

“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.