SCHEMBL3414426

SCHEMBL3414426

CN(C)Cc1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 3/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ PRKCI P41743 1/20 0.41
▸ AURKA O14965 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ CCNK O75909 7/20 0.37
▸ CDK12 Q9NYV4 7/20 0.37
▸ INCENP Q9NQS7 2/20 0.36
▸ TPX2 Q9ULW0 2/20 0.36
▸ INSR P06213 2/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ CAMKK2 Q96RR4 2/20 0.36
▸ DAO P14920 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ SLC6A2 P23975 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
SCHEMBL32671221 0.82 PRKCI (0.44) CHUKIKBKBPRKCICCNKCDK12
SCHEMBL20839750 0.80 CCNK (0.57) CHUKIKBKBPRKCIAURKAAURKB
SCHEMBL3418231 0.79 PRKCI (0.40) CHUKIKBKBPRKCICCNKCDK12
SCHEMBL4736127 0.77 AURKA (0.60) CHUKAURKAAURKBINCENPTPX2
SCHEMBL13505099 0.76 PRKCI (0.39) CHUKIKBKBPRKCICCNKCDK12
SCHEMBL13014149 0.74 PRKCI (0.33) PRKCICCNKCDK12
SCHEMBL3416746 0.74 PRKCI (0.40) CHUKIKBKBPRKCICCNKCDK12
SCHEMBL3417614 0.74 PRKCI (0.37) CHUKIKBKBPRKCICCNKCDK12
SCHEMBL14279274 0.74 PRKCI (0.33) PRKCICCNKCDK12
SCHEMBL598894 0.73 PRKCI (0.48) CHUKIKBKBPRKCIAURKBCCNK

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
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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CHUK 8/4885IKBKB 4/4885PRKCI 24/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CHUK 300/4885IKBKB 428/4885PRKCI 373/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CHUK 8/4885IKBKB 4/4885PRKCI 24/4885

“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.

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