SCHEMBL4666037

SCHEMBL4666037

Cc1cc2cc(-c3ccccc3)cc(C(N)=O)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.61
CHUK O15111 7/20 0.61
BRD4 O60885 1/20 0.50
DHODH Q02127 2/20 0.46
JAK2 O60674 3/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL4664560 0.84 IKBKB (0.62) IKBKBCHUKBRD4DHODHJAK2
SCHEMBL29696398 0.76 PDPK1 (0.53) BRD4DHODHPARP1
SCHEMBL19857562 0.76 PDPK1 (0.53) BRD4DHODHPARP1
SCHEMBL30356362 0.76 PARP1 (0.38) BRD4PARP1
SCHEMBL3802579 0.76 IKBKB (1.00) IKBKBCHUK
SCHEMBL4689422 0.75 IKBKB (0.97) IKBKBCHUKDHODH
SCHEMBL27698209 0.73 IKBKB (0.61) IKBKBCHUKPARP1
SCHEMBL14018387 0.72 IKBKB (0.64) IKBKBCHUK
SCHEMBL4689165 0.72 IKBKB (0.91) IKBKBCHUKDHODH
SCHEMBL27966238 0.71 IKBKB (0.54) IKBKBCHUKBRD4DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293802-A1 Chemical Compounds SMITHLINE BEECHAM CORPORATION 2008-11-27 US claimed
EP-1959737-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-27 EP claimed
WO-2007076286-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
US-20080293802-A1 Chemical Compounds SMITHLINE BEECHAM CORPORATION 2008-11-27 US disclosed
US-20080293802-A1 Chemical Compounds SMITHLINE BEECHAM CORPORATION 2008-11-27 US disclosed
US-20080293802-A1 Chemical Compounds SMITHLINE BEECHAM CORPORATION 2008-11-27 US disclosed
WO-2007076286-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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-20080293802-A1 Chemical Compounds IKBKG, NFKBIA, IDO2 IKBKB 6/4885CHUK 9/4885BRD4 185/4885

“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.