SCHEMBL4906119

SCHEMBL4906119

c1cc2cc(OC3CCOCC3)cnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
FAAH O00519 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
AXL P30530 2/20 0.40
CDK8 P49336 1/20 0.40
JAK2 O60674 4/20 0.40
ROCK1 Q13464 3/20 0.40
PLK4 O00444 2/20 0.40
MAP4K4 O95819 2/20 0.40
ROS1 P08922 2/20 0.40
FLT1 P17948 2/20 0.40
MARK3 P27448 2/20 0.40
FLT4 P35916 2/20 0.40
FLT3 P36888 2/20 0.40
CLK2 P49760 2/20 0.40
CSNK1G2 P78368 2/20 0.40
MAP4K2 Q12851 2/20 0.40
NTRK3 Q16288 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
SCHEMBL4904458 0.92 PRKCZ (0.41) PRKCZFAAHFGFR1KDRAXL
SCHEMBL4904462 0.92 PRKCZ (0.41) PRKCZFAAHFGFR1KDRAXL
SCHEMBL4783659 0.87 PDGFRB (0.48) PRKCZFGFR1KDRAXLCDK8
SCHEMBL4910039 0.86 PDGFRB (0.50) PRKCZFGFR1KDRAXLCDK8
SCHEMBL19041826 0.84 ROCK1 (0.54) PRKCZFGFR1KDRAXLCDK8
SCHEMBL4909692 0.81 PIK3CA (0.44) FAAHFGFR1KDRAXLCDK8
SCHEMBL29194895 0.81 PRKCZ (0.41) PRKCZFGFR1KDRAXLCDK8
SCHEMBL4784578 0.79 MTOR (0.43) FAAHFGFR1KDRAXLCDK8
SCHEMBL22264365 0.79 TBK1 (0.39) FAAHTBK1JAK2JAK1JAK3
SCHEMBL34475997 0.78 FAAH (0.48) FAAHFGFR1KDRAXLCDK8

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 PRKCZ 53/4885FAAH 2786/4885TBK1 241/4885

“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.