SCHEMBL3797172

SCHEMBL3797172

NC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.80
CHUK O15111 6/20 0.80
BTK Q06187 2/20 0.61
CSF1R P07333 1/20 0.61
AURKA O14965 1/20 0.52
FLT3 P36888 1/20 0.52
CSNK1E P49674 1/20 0.52

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
SCHEMBL4688449 0.90 IKBKB (0.98) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4688652 0.89 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4687061 0.89 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3796938 0.89 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4686154 0.87 IKBKB (0.67) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621955 0.87 IKBKB (0.84) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL28763733 0.87 IKBKB (0.77) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621954 0.87 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4689143 0.86 IKBKB (0.75) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4688211 0.86 IKBKB (0.75) IKBKBCHUKBTKCSF1RAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 US claimed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
CN-101060842-A Chemical compounds GLAXO GROUP LTD (GB) 2007-10-24 CN disclosed
EP-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 EP disclosed
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN disclosed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 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 (2 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-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885BTK 386/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 IKBKB 2/4885CHUK 6/4885BTK 378/4885

“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.