SCHEMBL4910039

SCHEMBL4910039

c1cc2cc(OC3CCCCC3)cnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
JAK3 P52333 3/20 0.49
ABL1 P00519 3/20 0.44
PRKCZ Q05513 1/20 0.44
ROCK1 Q13464 7/20 0.42
AXL P30530 2/20 0.42
CDK8 P49336 1/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
ROCK2 O75116 3/20 0.40
PRKCD Q05655 2/20 0.40
PRKG1 Q13976 2/20 0.40
PKN2 Q16513 2/20 0.40

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
SCHEMBL4783659 0.98 PDGFRB (0.48) PDGFRBPDGFRAJAK3ABL1PRKCZ
SCHEMBL19041826 0.87 ROCK1 (0.54) PRKCZROCK1AXLCDK8FGFR1
SCHEMBL4906119 0.86 PRKCZ (0.43) JAK3ABL1PRKCZROCK1AXL
SCHEMBL29194895 0.83 PRKCZ (0.41) PDGFRBPDGFRAJAK3ABL1PRKCZ
SCHEMBL4904458 0.81 PRKCZ (0.41) PRKCZAXLCDK8FGFR1KDR
SCHEMBL4904462 0.81 PRKCZ (0.41) PRKCZAXLCDK8FGFR1KDR
SCHEMBL4855426 0.78 MAP2K1 (0.44) AXLCDK8FGFR1KDRPIK3CD
SCHEMBL1797682 0.77 ALOX5AP (0.48) PDGFRBPDGFRAJAK3ABL1ROCK1
SCHEMBL4673559 0.75 ROCK1 (0.52) ABL1ROCK1ROCK2PRKCDPRKG1
SCHEMBL4901603 0.75 CHRNA7 (0.46) AXLCDK8FGFR1KDRPIK3CD

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 7 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

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 PDGFRB 1055/4885PDGFRA 1207/4885JAK3 198/4885

“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.