SCHEMBL3728442

SCHEMBL3728442

[c]1ccc(OC2CCCNC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
ROCK1 Q13464 8/20 0.44
ROCK2 O75116 4/20 0.44
KCNH2 Q12809 1/20 0.44
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
CDC42BPB Q9Y5S2 3/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CHEK1 O14757 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PRKX P51817 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 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
SCHEMBL2541858 0.82 LOX (0.41)
SCHEMBL19128754 0.81 HRH1 (0.43) CHRNB2CHRNA4ROCK1ROCK2HTR1A
SCHEMBL8636961 0.81 LOX (0.43)
Magnesium Chloride Anhydrous SCHEMBL28457245 0.77 LOX (0.34)
SCHEMBL20898791 0.77 CHRNB2 (0.46) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL3984986 0.76 CHRNB2 (0.55) CHRNB2CHRNA4ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL3296534 0.75 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL26668368 0.75 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL26665874 0.75 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL22825608 0.73 CHRNB2 (0.49) CHRNB2CHRNA4ROCK1ROCK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
EP-1692085-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA Chiron Corporation (US) 2006-08-23 EP disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 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 (5 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 CHRNB2 3617/4885CHRNA4 4050/4885ROCK1 1086/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 CHRNB2 4829/4885CHRNA4 4703/4885ROCK1 1687/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CHRNB2 3928/4885CHRNA4 3761/4885ROCK1 3209/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CHRNB2 3068/4885CHRNA4 2323/4885ROCK1 1109/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CHRNB2 4021/4885CHRNA4 3868/4885ROCK1 2742/4885

“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.