SCHEMBL104651

SCHEMBL104651

CNC(=O)Nc1cc(-c2cccc(CC(=O)N3Cc4ccccc4C3)c2)cn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
ROCK1 Q13464 7/20 0.38
MAPT P10636 1/20 0.38
BTK Q06187 3/20 0.37
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
ROCK2 O75116 1/20 0.36
NAMPT P43490 2/20 0.36
CALCRL Q16602 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL103354 0.92 ADORA1 (0.38) HDAC1MAPTBTKFAAHNAAA
SCHEMBL103863 0.91 ROCK2 (0.42) HDAC1ROCK1BTKROCK2NAMPT
SCHEMBL12602931 0.86 BTK (0.37) MAPTBTKFAAHNAAALIPG
SCHEMBL12650368 0.86 BTK (0.37) MAPTBTKFAAHNAAALIPG
SCHEMBL103921 0.82 BTK (0.38) MAPTBTKFAAHNAAALIPG
SCHEMBL105269 0.82 BTK (0.35) MAPTBTKFAAHNAAALIPG
SCHEMBL107567 0.82 BTK (0.38) HDAC1MAPTBTKFAAHNAAA
SCHEMBL12650328 0.81 BTK (0.36) HDAC1MAPTBTKFAAHNAAA
SCHEMBL4086014 0.81 CFD (0.46) HDAC1ROCK1
SCHEMBL3656572 0.79 BTK (0.34) MAPTBTKFAAHNAAALIPG

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 9 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-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
CN-101835755-B Novel kinase inhibitors HOFFMANN LA ROCHE 2013-12-11 CN disclosed
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
CN-101835755-A Novel kinase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN 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 HDAC1 1511/4885ROCK1 389/4885MAPT 3889/4885

“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.