SCHEMBL4086014

SCHEMBL4086014

CNC(=O)Nc1cc(-c2cccc(CC(=O)N3Cc4ccccc4C3)c2)cn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.46
TMIGD3 P0DMS9 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
SYK P43405 5/20 0.37
EPHB4 P54760 6/20 0.36
HDAC1 Q13547 1/20 0.36
ROCK1 Q13464 2/20 0.34

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
SCHEMBL4085752 0.83 SYK (0.41) SYK
SCHEMBL4090459 0.83 CFD (0.41) CFDTMIGD3HDAC6SYKEPHB4
SCHEMBL13771501 0.81 CFD (0.44) CFDTMIGD3HDAC6EPHB4
SCHEMBL104651 0.81 HDAC1 (0.38) HDAC1ROCK1
SCHEMBL2992603 0.80 ALDH1A1 (0.46) CFDTMIGD3EPHB4
SCHEMBL13765448 0.78 BTK (0.46) HDAC6HDAC1
SCHEMBL4090219 0.77 CFD (0.42) CFDTMIGD3HDAC6EPHB4
SCHEMBL103354 0.73 ADORA1 (0.38) HDAC1
SCHEMBL103863 0.73 ROCK2 (0.42) HDAC1ROCK1
SCHEMBL13893957 0.70 ROCK1 (0.45) ROCK1

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 10 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
CN-101952283-B Imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2013-04-17 CN disclosed
CN-101952283-A Novel imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2011-01-19 CN 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
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (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 CFD 3770/4885TMIGD3 4224/4885HDAC6 1266/4885

“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.