SCHEMBL4904458

SCHEMBL4904458

c1cc2cc(O[C@@H]3CCOC3)cnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.41
GRM5 P41594 4/20 0.40
PIK3CA P42336 4/20 0.39
MTOR P42345 3/20 0.39
AKT1 P31749 1/20 0.39
PIK3CD O00329 2/20 0.39
GCK P35557 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
GRM4 Q14833 3/20 0.38
FAAH O00519 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
BRD4 O60885 1/20 0.37
LRRK2 Q5S007 2/20 0.37

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
SCHEMBL4904462 1.00 PRKCZ (0.41) PRKCZGRM5PIK3CAMTORAKT1
SCHEMBL4906119 0.92 PRKCZ (0.43) PRKCZGRM5PIK3CAMTORPIK3CD
SCHEMBL4783659 0.82 PDGFRB (0.48) PRKCZPIK3CAPIK3CDFGFR1KDR
SCHEMBL4910039 0.81 PDGFRB (0.50) PRKCZPIK3CAPIK3CDFGFR1KDR
SCHEMBL22264349 0.80 LRRK2 (0.40) GRM5PIK3CAMTORAKT1GRM4
SCHEMBL19041826 0.80 ROCK1 (0.54) PRKCZFGFR1KDRAXLCDK8
SCHEMBL29194895 0.76 PRKCZ (0.41) PRKCZPIK3CAPIK3CDFGFR1KDR
SCHEMBL4909692 0.76 PIK3CA (0.44) PIK3CAMTORPIK3CDFGFR1KDR
SCHEMBL9983404 0.76 MEN1 (0.50) LRRK2
SCHEMBL4784578 0.74 MTOR (0.43) PIK3CAMTORPIK3CDGCKFGFR1

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 6 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

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 53/4885GRM5 4037/4885PIK3CA 79/4885

“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.