SCHEMBL105874

SCHEMBL105874

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3cc4ccccc4s3)c2C)cn(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.54
HDAC1 Q13547 1/20 0.44
EGFR P00533 1/20 0.43
BMX P51813 1/20 0.43
JAK3 P52333 1/20 0.43
DHPS P49366 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL103769 0.83 BTK (0.70) BTKEGFRBMXJAK3
SCHEMBL19230302 0.82 BTK (0.46) BTKEGFRBMXJAK3
SCHEMBL103964 0.80 BTK (0.81) BTK
SCHEMBL1322596 0.78 BTK (0.73) BTKBMX
SCHEMBL20578298 0.78 BTK (0.59) BTKEGFRBMXJAK3
SCHEMBL106046 0.77 BTK (0.64) BTKEGFRBMXJAK3
SCHEMBL105185 0.77 BTK (0.71) BTK
SCHEMBL12602977 0.77 BTK (0.53) BTK
SCHEMBL108970 0.77 BTK (0.59) BTKALDH1A1
SCHEMBL20578299 0.77 BTK (0.56) BTKEGFRBMXJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN BTK 1/4885HDAC1 1511/4885EGFR 1210/4885

“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.