SCHEMBL3413744

SCHEMBL3413744

CC(C)(C)c1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.45
CHUK O15111 5/20 0.45
AXL P30530 1/20 0.44
PRKCI P41743 1/20 0.44
DAO P14920 1/20 0.42
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.41
CDK9 P50750 1/20 0.41
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK14 Q16539 3/20 0.34
CSNK1D P48730 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
SYK P43405 2/20 0.33
ALK Q9UM73 1/20 0.33
PTK6 Q13882 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL31420487 1.00 IKBKB (0.45) IKBKBCHUKAXLPRKCIDAO
SCHEMBL26686243 0.87 AXL (0.42) IKBKBCHUKAXLPRKCIDAO
SCHEMBL30633344 0.87 AXL (0.42) IKBKBCHUKAXLPRKCIDAO
SCHEMBL2984796 0.83 IKBKB (0.45) IKBKBCHUKAXLPRKCIDAO
SCHEMBL30509532 0.83 IKBKB (0.45) IKBKBCHUKAXLPRKCIDAO
SCHEMBL13507207 0.81 IKBKB (0.46) IKBKBCHUKCDK9AURKAAURKB
SCHEMBL29487177 0.80 AXL (0.48) IKBKBCHUKAXLPRKCIDAO
SCHEMBL1154194 0.80 AXL (0.48) IKBKBCHUKAXLPRKCIDAO
SCHEMBL31420480 0.80 AXL (0.39) IKBKBCHUKAXLPRKCIDAO
SCHEMBL26686519 0.80 AXL (0.39) IKBKBCHUKAXLPRKCIDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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 (4 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB IKBKB 3/4885CHUK 6/4885AXL 1479/4885
US-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885AXL 2200/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885AXL 1364/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885AXL 2200/4885

“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.