SCHEMBL4688453

SCHEMBL4688453

NC(=O)c1cc(-c2ccccc2Cl)cc2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 1.00
CHUK O15111 10/20 0.68
PDPK1 O15530 1/20 0.50
PARP1 P09874 1/20 0.42
JAK2 O60674 1/20 0.42
BTK Q06187 1/20 0.42
CHEK2 O96017 1/20 0.41
ADRB1 P08588 1/20 0.40
SCN9A Q15858 1/20 0.40
CDC7 O00311 1/20 0.39
CECR2 Q9BXF3 1/20 0.38

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
SCHEMBL4686346 0.85 IKBKB (0.74) IKBKBCHUKPDPK1JAK2BTK
SCHEMBL4688482 0.84 IKBKB (0.72) IKBKBCHUKPDPK1PARP1BTK
SCHEMBL4684363 0.83 IKBKB (0.70) IKBKBCHUKPDPK1BTKCDC7
SCHEMBL27658369 0.82 IKBKB (0.69) IKBKBCHUKPDPK1BTKADRB1
SCHEMBL3802579 0.81 IKBKB (1.00) IKBKBCHUKPDPK1
SCHEMBL4689422 0.80 IKBKB (0.97) IKBKBCHUKPDPK1
SCHEMBL4687705 0.79 IKBKB (0.78) IKBKBCHUKPDPK1CHEK2ADRB1
SCHEMBL4685346 0.79 IKBKB (1.00) IKBKBCHUKPDPK1JAK2BTK
SCHEMBL27678479 0.79 IKBKB (0.65) IKBKBCHUKPDPK1BTKADRB1
SCHEMBL4687034 0.78 IKBKB (1.00) IKBKBCHUKPDPK1PARP1JAK2

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
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP claimed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US claimed
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN claimed
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP 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-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US 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

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-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 IKBKB 2/4885CHUK 6/4885PDPK1 146/4885

“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.