SCHEMBL4786058

SCHEMBL4786058

c1cc2cc(OCC3CCNC3)cnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.56
SLC6A4 P31645 7/20 0.56
SLC6A3 Q01959 4/20 0.56
MAP2K1 Q02750 2/20 0.52
KDM1A O60341 5/20 0.47
KCNH2 Q12809 4/20 0.47
RCOR1 Q9UKL0 1/20 0.47
HTR3A P46098 2/20 0.46
PRKCZ Q05513 2/20 0.45
EP300 Q09472 1/20 0.44
CHRNA7 P36544 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDC42BPB Q9Y5S2 2/20 0.42
CDC42BPA Q5VT25 1/20 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
SCHEMBL14146936 0.92 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL4901603 0.86 CHRNA7 (0.46) SLC6A2SLC6A4SLC6A3MAP2K1KDM1A
SCHEMBL4855426 0.84 MAP2K1 (0.44) SLC6A2SLC6A4MAP2K1KCNH2HTR3A
SCHEMBL4909692 0.81 PIK3CA (0.44) SLC6A2SLC6A4KCNH2HTR3AEP300
SCHEMBL4782524 0.79 CHRNA7 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CHRNA7
SCHEMBL2229320 0.78 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3MAP2K1KDM1A
SCHEMBL19041826 0.76 ROCK1 (0.54) PRKCZROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL2228515 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MAP2K1KCNH2
SCHEMBL2227826 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MAP2K1KCNH2
SCHEMBL2227832 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MAP2K1KCNH2

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 SLC6A2 4713/4885SLC6A4 4749/4885SLC6A3 4650/4885

“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.