SCHEMBL4095808

SCHEMBL4095808

O=C(Nc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3n2)c1CO)c1ccc(C2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.55
CLK2 P49760 1/20 0.55
SYK P43405 1/20 0.47
TYK2 P29597 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
FASN P49327 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
SCHEMBL1779482 0.88 BTK (0.65) BTKCLK2KDM4ERAB9A
SCHEMBL13894284 0.85 BTK (0.58) BTKCLK2TYK2KDM4ERAB9A
SCHEMBL1576736 0.84 BTK (0.62) BTKSYK
SCHEMBL4084940 0.83 BTK (0.44) BTKSYK
SCHEMBL4090244 0.82 BTK (0.44) BTKSYK
SCHEMBL13894115 0.81 BTK (0.63) BTKCLK2KDM4ERAB9A
SCHEMBL4085051 0.81 BTK (0.83) BTKCLK2
SCHEMBL4084430 0.81 BTK (0.44) BTKSYK
SCHEMBL3869783 0.81 BTK (0.82) BTKCLK2
SCHEMBL4091691 0.79 BTK (0.43) BTKSYK

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 8 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
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 BTK 1/4885CLK2 351/4885SYK 2/4885

“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.