SCHEMBL13012932

SCHEMBL13012932

Bc1ccnc2[nH]c(CC(=O)N3CCCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE2 P0DPD6 1/20 0.43
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CDK12 Q9NYV4 6/20 0.36
▸ 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
▸ PRMT3 O60678 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 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
SCHEMBL3415216 0.85 SMN1; SMN2 (0.45) ECE2POLBKMT2AMEN1CDK12
SCHEMBL13014328 0.80 NUDT1 (0.39) KMT2AMEN1CDK12MAPTKDM4E
SCHEMBL14279265 0.79 CHUK (0.51) CDK12KDM4EALDH1A1CCNK
SCHEMBL13505071 0.76 IKBKB (0.52) KMT2AMEN1CDK12CDK1CDK2
SCHEMBL3414591 0.74 CHUK (0.58) CDK12CDK1CDK2CASP3GSK3B
SCHEMBL3414579 0.74 IKBKB (0.65) —
SCHEMBL14278879 0.72 CCNK (0.39) CDK12CDK1CDK2CDK9MAPT
SCHEMBL14279270 0.72 IKBKB (0.44) CDK12CDK1CDK2CASP3GSK3B
SCHEMBL3410064 0.72 IKBKB (0.75) —
Trifluoroacetic Acid SCHEMBL3415936 0.71 IKBKB (0.51) KMT2ACDK12CDK1CDK2CASP3

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 3 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-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

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-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE ECE2 746/4885POLB 1182/4885KMT2A 1322/4885

“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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