SCHEMBL14654697

SCHEMBL14654697

Cc1nccn2c([C@@H]3CCCCN3C(=O)OCc3ccccc3)nc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.49
TEC P42680 1/20 0.46
TXK P42681 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL14654586 1.00 BTK (0.49) BTKTECTXKTMEM97SIGMAR1
SCHEMBL14654706 0.97 TEC (0.49) BTKTECTXK
SCHEMBL14654694 0.97 TEC (0.49) BTKTECTXK
SCHEMBL20411768 0.90 TEC (0.45) BTKTECTXKTMEM97SIGMAR1
SCHEMBL20411769 0.90 TEC (0.54) BTKTECTXKTMEM97SIGMAR1
SCHEMBL20411767 0.90 TEC (0.54) BTKTECTXKTMEM97SIGMAR1
SCHEMBL14637977 0.89 TEC (0.53) BTKTECTXKTMEM97SIGMAR1
SCHEMBL21783734 0.87 TEC (0.47) BTKTECTXKTMEM97SIGMAR1
SCHEMBL14637258 0.87 TEC (0.56) BTKTECTXK
SCHEMBL14651434 0.87 TEC (0.56) BTKTECTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 US disclosed
US-11554118-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2023-01-17 US disclosed
US-20140155406-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 US disclosed
US-20140155406-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 US disclosed
WO-2013010869-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS MSD OSS B.V. (NL) 2013-01-24 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 (3 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-20140155406-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TEC 17/4885TXK 151/4885
US-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK BTK 1/4885TEC 28/4885TXK 247/4885
US-11554118-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK BTK 1/4885TEC 28/4885TXK 247/4885

“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.