SCHEMBL4786065

SCHEMBL4786065

CN1CCN(CCOc2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
ABL1 P00519 1/20 0.47
INSR P06213 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
MAP3K11 Q16584 1/20 0.47
PRKCQ Q04759 2/20 0.47
PRKCD Q05655 2/20 0.47
DRD3 P35462 5/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
DRD2 P14416 4/20 0.42

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
SCHEMBL1267643 0.90 LTA4H (0.64) LTA4HPRKCQHRH3KDM4EALDH1A1
SCHEMBL1266662 0.88 LTA4H (0.62) LTA4HHRH3
SCHEMBL1267865 0.86 CD274 (0.53) LTA4HPRKCQKDM4EALDH1A1
SCHEMBL4782524 0.79 CHRNA7 (0.43) IKBKBCHUKABL1INSRCDK2
SCHEMBL7874293 0.77 MAP3K11 (0.61) IKBKBCHUKABL1INSRCDK2
SCHEMBL4798955 0.77 RPS6KA3 (0.44) IKBKBCHUKABL1INSRCDK2
SCHEMBL415173 0.76 KDR (0.54) ABL1INSRCDK2FGFR1KDR
SCHEMBL298617 0.74 MAP3K11 (0.58) IKBKBCHUKABL1INSRCDK2
SCHEMBL413709 0.74 KDR (0.54) INSRCDK2FGFR1KDR
SCHEMBL12291832 0.74 FGFR1 (0.48) FGFR1KDRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 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-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LTA4H 2725/4885IKBKB 387/4885CHUK 210/4885

“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.