SCHEMBL496782

SCHEMBL496782

COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TNFSF11 O14788 4/20 0.42
PLK1 P53350 1/20 0.42
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
ELANE P08246 1/20 0.41
CTRB1 P17538 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13613784 0.83 KMT2A (0.59) MEN1KMT2APLK1MAPTLMNA
SCHEMBL1894844 0.83 MEN1 (0.59) MEN1KMT2APLK1LMNAPOLB
SCHEMBL1772606 0.82 BRD4 (0.44) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL1772583 0.79 AGTR1 (0.43) MEN1KMT2ATNFSF11LMNAALDH1A1
SCHEMBL1772515 0.79 BRD4 (0.54) MEN1KMT2ATNFSF11LMNAALDH1A1
SCHEMBL12862371 0.78 KDM4E (0.49) F2PLAUKLKB1ELANECTRB1
SCHEMBL497459 0.78 MEN1 (0.67) MEN1KMT2APLK1LMNAKDM4E
SCHEMBL1773025 0.76 HTR6 (0.45) MEN1KMT2ATNFSF11LMNAALDH1A1
SCHEMBL1772311 0.75 AGTR1 (0.39) MEN1KMT2ATNFSF11LMNAALDH1A1
SCHEMBL1772309 0.74 HTR6 (0.43) MEN1KMT2ATNFSF11LMNAALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198298-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2012-06-12 US disclosed
US-8198298-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2012-06-12 US disclosed
US-8198298-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2012-06-12 US disclosed
US-8106069-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-01-31 US disclosed
US-8106069-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-01-31 US disclosed
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2011-06-09 US disclosed
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2011-06-09 US disclosed
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2011-06-09 US disclosed
US-7888508-B2 3-(carboxy or carbamoyl)-5-amino-1H-pyrrolo(2,3-b)pyridines; cancer, Alzheimer's disease, viral infections, autoimmune diseases and neurodegenerative disorders; chemical libraries of these compounds PFIZER ITALIA S.R.L. (IT) 2011-02-15 US disclosed
US-7888508-B2 3-(carboxy or carbamoyl)-5-amino-1H-pyrrolo(2,3-b)pyridines; cancer, Alzheimer's disease, viral infections, autoimmune diseases and neurodegenerative disorders; chemical libraries of these compounds PFIZER ITALIA S.R.L. (IT) 2011-02-15 US disclosed
US-7728140-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2010-06-01 US disclosed
EP-1701956-B1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-02-24 EP disclosed
EP-1701956-B1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-02-24 EP disclosed
EP-1704147-B1 PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM PFIZER ITALIA SRL (IT) 2009-11-04 EP disclosed
EP-1704147-A1 PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM Pfizer Italia S.r.l. (IT) 2006-09-27 EP disclosed
EP-1701956-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Italia S.r.l. (IT) 2006-09-20 EP disclosed
US-20050256151-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-11-17 US disclosed
US-20050209269-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-09-22 US disclosed
WO-2005063746-A1 PYRROLO[2,3-b]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA S.R.L. (IT) 2005-07-14 WO disclosed
WO-2005063747-A1 PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM PFIZER ITALIA S.R.L. (IT) 2005-07-14 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-20050256151-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K6, MAP3K3, MAP3K1 MEN1 2469/4885KMT2A 1599/4885TNFSF11 2675/4885
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K6, MAP3K3, MAP3K15 MEN1 2478/4885KMT2A 1503/4885TNFSF11 2394/4885
US-20050209269-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K6, MAP3K3, MAP3K1 MEN1 2469/4885KMT2A 1599/4885TNFSF11 2675/4885

“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.