SCHEMBL4886617

SCHEMBL4886617

COc1ccc2[nH]cc(CCOc3cnc4[nH]ccc4c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.54
HTR1A P08908 4/20 0.53
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 3/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
HTR4 Q13639 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MTNR1B P49286 4/20 0.52
GPR84 Q9NQS5 1/20 0.51
MTNR1A P48039 5/20 0.51

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
SCHEMBL15128313 0.76 HTR2A (0.73) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL4907296 0.75 FGFR1 (0.51) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL296198 0.74 KDR (0.65) MEN1KMT2A
SCHEMBL1304992 0.74 HTR2A (0.66) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL4892086 0.74 HTR2A (0.59) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL415173 0.73 KDR (0.54)
SCHEMBL25082440 0.72 HTR2A (0.68) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL4847738 0.72 FGFR1 (0.51) CYP2D6CYP1A2MAPTTSHRNPSR1
SCHEMBL8252894 0.71 HTR2A (0.76) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL25082468 0.71 HTR2A (0.66) HTR2AHTR1ACYP2D6CYP1A2HTR1D

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 HTR2A 4283/4885HTR1A 4163/4885CYP2D6 4480/4885

“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.