SCHEMBL4086332

SCHEMBL4086332

Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cc(NC(=O)NCCCO)c2nccn2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.48
HDAC6 Q9UBN7 2/20 0.41
EGFR P00533 1/20 0.39
BMX P51813 1/20 0.39
JAK3 P52333 1/20 0.39
PDCD1 Q15116 5/20 0.38
CD274 Q9NZQ7 5/20 0.38
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL4095924 0.95 BTK (0.49) BTKHDAC6EGFRBMXJAK3
SCHEMBL4096542 0.90 BTK (0.55) BTKHDAC6EGFRBMXJAK3
SCHEMBL4089918 0.89 BTK (0.48) BTKEGFRBMXJAK3PDCD1
SCHEMBL4095443 0.88 BTK (0.55) BTKEGFRBMXJAK3PDCD1
SCHEMBL4080570 0.88 BTK (0.52) BTKHDAC6EGFRBMXJAK3
SCHEMBL4081138 0.86 BTK (0.58) BTKHDAC6
SCHEMBL4085005 0.85 BTK (0.61) BTKHDAC6
SCHEMBL4080694 0.84 BTK (0.49) BTKHDAC6PDCD1CD274
SCHEMBL4085015 0.83 BTK (0.49) BTKHDAC6
SCHEMBL4080285 0.82 BTK (0.61) BTKHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885HDAC6 1266/4885EGFR 898/4885

“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.