SCHEMBL20847862

SCHEMBL20847862

Cc1nn(Cc2cccc(C3CC3)c2)cc1-c1nn(C2CCCN(C(=O)OC(C)(C)C)CCC2)c(N)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.51
TEC P42680 3/20 0.41
TXK P42681 3/20 0.41
BMX P51813 3/20 0.41
KDM1A O60341 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
RET P07949 1/20 0.34
NSD2 O96028 1/20 0.33

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
SCHEMBL20468774 0.99 BTK (0.50) BTKTECTXKBMXKDM1A
SCHEMBL20847983 0.92 BTK (0.48) BTKTECTXKBMXKDM1A
SCHEMBL22887250 0.91 BTK (0.47) BTKTECTXKBMXKDM1A
SCHEMBL19002013 0.90 BTK (0.52) BTKTECTXKBMXKDM1A
SCHEMBL20468627 0.89 BTK (0.51) BTKTECTXKBMXKDM1A
SCHEMBL19836085 0.89 BTK (0.62) BTKTECTXKBMX
SCHEMBL22887287 0.89 BTK (0.51) BTKTECTXKBMXKDM1A
SCHEMBL18996894 0.88 BTK (0.66) BTKTECTXKBMX
SCHEMBL22887242 0.88 BTK (0.50) BTKTECTXKBMXKDM1A
SCHEMBL19836228 0.81 BTK (0.60) BTKTECTXKBMXKDM1A

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-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-03-28 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-20190092759-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.