SCHEMBL497070

SCHEMBL497070

C1=CN(CCC2CCCCC2)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.38
ACHE P22303 2/20 0.35
ATM Q13315 2/20 0.35
CHRM3 P20309 1/20 0.34
NAMPT P43490 1/20 0.33
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL10615884 0.77 HDAC3 (0.47) HDAC3LMNA
SCHEMBL14637926 0.76 HDAC3 (0.69) HDAC3TSHRHTTCHRM3DRD2
SCHEMBL28774659 0.74 HDAC3 (0.52) HDAC3LMNATSHRHTTCHRM3
SCHEMBL1128087 0.74 HDAC3 (0.52) HDAC3LMNATSHRHTTCHRM3
SCHEMBL5141015 0.74 HDAC3 (0.56) HDAC3LMNATSHRHTTACHE
SCHEMBL29767826 0.74 HDAC3 (0.52) HDAC3LMNATSHRHTTCHRM3
Bromide SCHEMBL6024516 0.73 HDAC3 (0.51) HDAC3LMNATSHRHTTCHRM3
Iodide SCHEMBL10482578 0.73 HDAC3 (0.51) HDAC3LMNATSHRHTTCHRM3
SCHEMBL10868161 0.72 HDAC3 (0.60) HDAC3TSHRDRD2SIGMAR1
SCHEMBL1127857 0.72 HDAC3 (0.57) HDAC3NAMPTSIGMAR1

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
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-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-20100210476-A1 Pyrrolo[2,3-b]Pyridine Derivatives Active as Kinase Inhibitors and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2010-08-19 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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100210476-A1 Pyrrolo[2,3-b]Pyridine Derivatives Active as Kinase Inhibitors and Pharmaceutical Compositions Comprising Them MAP3K6, MAP3K3, MAP3K1 HDAC3 2493/4885NPSR1 2389/4885LMNA 4001/4885
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 HDAC3 2755/4885NPSR1 2000/4885LMNA 3842/4885
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K6, MAP3K3, MAP3K15 HDAC3 2979/4885NPSR1 2193/4885LMNA 4426/4885
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 HDAC3 2755/4885NPSR1 2000/4885LMNA 3842/4885

“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.