SCHEMBL3415216

SCHEMBL3415216

O=C(Cc1cc2c(Br)ccnc2[nH]1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ECE2 P0DPD6 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RAB9A P51151 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CDK1 P06493 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL13012932 0.85 ECE2 (0.43) SMN1; SMN2NPC1HPGDECE2KDM4E
SCHEMBL3416746 0.80 PRKCI (0.40) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL2239319 0.79 CHUK (0.51) KDM4EALDH1A1CDK12
SCHEMBL13505099 0.79 PRKCI (0.39) CDK12
SCHEMBL3417614 0.76 PRKCI (0.37) CDK9CDK12
SCHEMBL13505071 0.76 IKBKB (0.52) CDK1CDK2CASP3GSK3BCDK7
SCHEMBL3418231 0.75 PRKCI (0.40) CASP3CDK9CASP7CDK12POLB
SCHEMBL3411591 0.75 IKBKB (0.57) KDM4EALDH1A1CDK1CDK2CASP3
SCHEMBL3414591 0.74 CHUK (0.58) CDK1CDK2CASP3GSK3BCDK7
SCHEMBL3414579 0.74 IKBKB (0.65) —

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 13 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
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 SMN1; SMN2 3855/4885NPC1 2450/4885HPGD 2328/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 SMN1; SMN2 3281/4885NPC1 4117/4885HPGD 2720/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE SMN1; SMN2 3855/4885NPC1 2450/4885HPGD 2328/4885

“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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