SCHEMBL4152434

SCHEMBL4152434

CC1(C)OB(c2cccc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2)OC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 2/20 0.57
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45

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
SCHEMBL18343293 0.80 ALDH1A1 (0.64) KMT2AMEN1MAPK1ALDH1A1NPSR1
SCHEMBL18343387 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EPOLB
SCHEMBL3264202 0.80 GAA (0.56) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL18343188 0.78 ALDH1A1 (0.47) MAPTMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL2357751 0.78 ALDH1A1 (0.54) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL24137556 0.77 KMT2A (0.71) KMT2AMEN1HSD17B10MAPTMAPK1
SCHEMBL9131858 0.77 BCHE (0.75) KMT2AMEN1HSD17B10MAPTBCHE
SCHEMBL5675377 0.76 PDGFRB (0.58) KMT2AMEN1HSD17B10MAPTMAPK1
SCHEMBL16150246 0.75 HSD17B10 (0.52) HSD17B10ALDH1A1KDM4E
SCHEMBL7139795 0.75 CA1 (0.48) KMT2AMEN1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 KMT2A 3374/4885MEN1 2593/4885HSD17B10 1900/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 KMT2A 3173/4885MEN1 2772/4885HSD17B10 2213/4885

“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.